Compound: 3,4-Dimethoxybenzaldehyde
SMILES: O=Cc1cc(OC)c(OC)cc1
InChIKey: WJUFSDZVCOTFON-UHFFFAOYSA-N
Synonyms: 3,4-Dimethoxybenzaldehyde, VERATRALDEHYDE, 120-14-9, Veratric aldehyde, Benzaldehyde, 3,4-dimethoxy-, Vanillin methyl ether, Veratrum aldehyde, Veratryl aldehyde, Veratral, p-Veratric aldehyde, 4-O-Methylvanillin, 3,4-Dimethoxybenzenecarbonal, Protocatechualdehyde dimethyl ether, Protocatechuic aldehyde dimethyl ether, FEMA No. 3109, UI88P68JZD, DTXSID7026285, NSC-8500, NSC-24521, DTXCID406285, CHEBI:17098, RefChem:193958, 204-373-2, Methylvanillin, 3,4-Dimethoxy benzaldehyde, MFCD00003363, 3,4-DIMETHOXY-BENZALDEHYDE, Protocatechuecaldehyde dimethyl ether, NSC 24521, Verapamil EP Impurity G, 3, 4-Dimethoxybenzaldehyde, Methyl vanillin, Benzaldehyde,4-dimethoxy-, WLN: VHR CO1 DO1, CAS-120-14-9, CCRIS 6285, EINECS 204-373-2, UNII-UI88P68JZD, BRN 0473899, veratrumald, ratryl aldehyde, Veratrumaldehyde, AI3-08099, FEMA 3109, 3,4-dimethoxy, 3,4dimethoxybenzaldehyde, 3,4-dimethoxybenzaldeyde, 3,4 dimethoxybenzaldehyde, 3,4-dimethoxybenzaidehyde, 4,3-dimethoxybenzaldehyde, 4,5-dimethoxybenzaldehyde, bmse010220, VERATRALDEHYDE [MI], VERATRALDEHYDE [FCC], SCHEMBL25202, SCHEMBL56335, VERATRALDEHYDE [FHFI], Veratraldehyde, >=98%, FG, orb1301612, orb3140243, CHEMBL1088937, SCHEMBL19716028, SCHEMBL29364994, MSK3363, NSC8500, 3,4-Dimethoxybenzaldehyde, 99%, HY-N1096, NSC24521, Tox21_201566, Tox21_303074, BBL010373, EBC-03268, MSK3363-100M, s3214, SBB040236, STK188425, AKOS000118989, MSK3363-1000M, CS-W019906, Dimethoxy-Benzaldehyde-O-Methylvanillin, FD54842, NCGC00091642-01, NCGC00091642-02, NCGC00091642-03, NCGC00257217-01, NCGC00259115-01, AC-10201, AC-34441, AS-11996, SY004136, Benzaldehyde, 3,4-dimethoxy-veratraldehyde, Veratraldehyde (3,4-Dimethoxybenzaldehyde), DB-014213, D0507, NS00013328, ST45169641, EN300-16145, C02201, Methylvanillin Solution in Methanol, 100ug/mL, Methylvanillin Solution in Methanol, 1000ug/mL, AH-034/32845024, F078760, Q414395, Z53837671, F2190-0618, VERAPAMIL HYDROCHLORIDE IMPURITY G [EP IMPURITY], InChI=1/C9H10O3/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-6H,1-2H, Verapamil USP RC E, Verapamil USP Related Compound E, 3,4-Dimethoxybenzaldehyde,Verapamil Hydrochloride Imp. G (EP), Verapamil Imp. G (EP)
Theoretical properties:
molecular_formula: C9H10O3
molecular_weight: 166.17 g/mol
exact_mass: 166.062994177 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 3
heavy_atom_count: 12
topological_polar_surface_area: 35.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
boiling_point: 538 °F at 760 mmHg (NTP, 1992)
melting_point: 108 to 109 °F (NTP, 1992)
solubility: less than 1 mg/mL at 72 °F (NTP, 1992)
flash_point: greater than 230 °F (NTP, 1992)
Descriptions:
pubchem: Veratraldehyde is a dimethoxybenzene that is benzaldehyde substituted by methoxy groups at positions 3 and 4. It is found in peppermint, ginger, raspberry, and other fruits. It has a role as an antifungal agent. It is a member of benzaldehydes and a dimethoxybenzene.
chebi: A dimethoxybenzene that is benzaldehyde substituted by methoxy groups at positions 3 and 4. It is found in peppermint, ginger, raspberry, and other fruits.
chembl: 3,4-DIMETHOXYBENZALDEHYDE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Dimethoxybenzaldehyde may refer to:

2,4-Dimethoxybenzaldehyde (DMBA)
2,5-Dimethoxybenzaldehyde
Veratraldehyde (3,4-dimethoxybenzaldehyde)