Compound: 7-Methoxycoumarin
SMILES: O=c1oc2c(ccc(c2)OC)cc1
InChIKey: LIIALPBMIOVAHH-UHFFFAOYSA-N
Synonyms: 7-Methoxycoumarin, Herniarin, 531-59-9, 7-Methoxy-2H-chromen-2-one, Ayapanin, Methylumbelliferone, 7-methoxychromen-2-one, Herniarine, 7-Methoxy-2H-1-benzopyran-2-one, 2H-1-BENZOPYRAN-2-ONE, 7-METHOXY-, DGK72G008A, NSC-404559, CHEBI:5679, DTXSID5060196, RefChem:25893, DTXCID5041354, 208-513-3, Coumarin, 7-methoxy-, METHOXYCOURMARIN, 7-, Methyl umbelliferyl ether, 7-methoxy-chromen-2-one, 7-methoxy-coumarin, MFCD00006876, NSC 404559, 7-(methyloxy)-2H-chromen-2-one, CHEMBL49732, 7-Methoxycoumarin;Methyl umbelliferyl ether, 7-Methyl ether derivative of Umbelliferone, 7-Methoxycoumarin, >=98%, SMR000156201, Herniarin (6CI), EINECS 208-513-3, Umbelliferone methyl ether, BRN 0141728, UNII-DGK72G008A, 7-Methoxy Coumarin, Herniarin (standard), Spectrum_000392, SpecPlus_000322, Spectrum2_000398, Spectrum3_000263, Spectrum4_001558, Spectrum5_000156, 7-METHOXYCOURMARIN, Umbelliferone, methyl ether, METHOXYCOUMARIN, 7-, SCHEMBL61221, BSPBio_001706, KBioGR_002056, KBioSS_000872, SPECTRUM210874, 5-18-01-00387 (Beilstein Handbook Reference), MLS000563125, MLS000574914, DivK1c_006418, SCHEMBL961967, SPBio_000615, Coumarin, 7-methoxy- (8CI), MEGxp0_000150, orb1300112, orb3025478, SCHEMBL6031307, SCHEMBL29437733, ACon1_002037, HY-N1366A, KBio1_001362, KBio2_000872, KBio2_003440, KBio2_006008, KBio3_001206, 7-Methoxy-2H-chromen-2-one #, HMS2271N13, HMS5084D11, HY-N1366, MSK10988, BDBM50303499, CCG-38669, EBC-03429, NSC404559, STK374268, ZB1865, 7-Methoxycoumarin, analytical standard, AKOS000277129, FM52331, SDCCGMLS-0066524.P001, NCGC00095528-01, NCGC00095528-02, NCGC00095528-03, NCGC00095528-05, NCGC00179069-01, NCGC00179069-02, 7-Methoxy-2H-1-benzopyran-2-one, 9CI, AC-34354, AS-58718, SY048641, 7-Methoxycoumarin,Methyl umbelliferyl ether, CS-0016775, M1723, NS00022307, S5163, ST50406549, C09268, EN300-399800, M-3330, M05817, 7-Methoxycoumarin 100 microg/mL in Acetonitrile, SR-01000712094, Herniarin, primary pharmaceutical reference standard, Q3408685, SR-01000712094-2, BRD-K81209159-001-02-9, Z53852417, 7-METHOXYCOUMARIN (CONSTITUENT OF CHAMOMILE) [DSC], 7-Methoxycoumarin, suitable for fluorescence, >=98.0% (TLC)
Theoretical properties:
molecular_formula: C10H8O3
molecular_weight: 176.17 g/mol
exact_mass: 176.047344113 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 1
heavy_atom_count: 13
topological_polar_surface_area: 35.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
boiling_point: 334.00 to 335.00 °C. @ 760.00 mm Hg
melting_point: 117 - 118 °C
solubility: 0.133 mg/mL
Descriptions:
pubchem: Herniarin is a member of the class of coumarins that is coumarin substituted by a methoxy group at position 7. It has a role as a fluorochrome.
chebi: A member of the class of coumarins that is coumarin substituted by a methoxy group at position 7.
chembl: HERNIARIN is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: 5-Geranyloxy-7-methoxycoumarin is a natural coumarin with the molecular formula C20H24O4. It is found in the essential oils of citrus such as bergamot.