Compound: 4-Hydroxycoumarin
SMILES: O=c1oc2c(cccc2)c(c1)O
InChIKey: VXIXUWQIVKSKSA-UHFFFAOYSA-N
Synonyms: 4-Hydroxycoumarin, 1076-38-6, 4-Coumarinol, Benzotetronic acid, 4-hydroxychromen-2-one, Coumarin, 4-hydroxy-, 4-Hydroxy-2H-1-benzopyran-2-one, 2H-1-BENZOPYRAN-2-ONE, 4-HYDROXY-, 4-hydroxy-2-chromenone, X954ZLL2RD, DTXSID8061472, 4-hydroxy-2H-benzo[b]pyran-2-one, NSC-11889, CHEBI:40070, 4-hydroxy-2H-benzo(b)pyran-2-one, 4-OH coumarin, RefChem:388756, DTXCID1033086, 214-060-2, 4-Hydroxy-2H-chromen-2-one, 4-Hydroxy coumarin, 4-Hydroxy-chromen-2-one, MFCD00006856, 4-Hydroxycoumarine, 4-HYDROXY-1-BENZOPYRAN-2-ONE, Warfarin sodium EP Impurity B, CHEMBL301141, 22105-09-5, NSC11889, 4-Hydroxy-2H-1-benzopyran-2-one (4-Hydroxycoumarin), 4-HYDROXYCOUMARINS, 2-Hydroxychromone, 4-hydroxy-coumarin, 4HC, EINECS 214-060-2, NSC 11889, 4H-1-Benzopyran-4-one, 2-hydroxy-, UNII-X954ZLL2RD, BRN 0129768, hydroxychromone, 4hydroxycoumarin, AI3-52393, 4-hyroxycoumarin, 2-Hydroxy-4H-1-benzopyran-4-one, 4-hydroxyl coumarin, 4-Monohydroxycoumarin, 4-Hydroxycoumarin, 98%, CBiol_000838, WLN: T66 BOVJ EQ, 5-18-01-00378 (Beilstein Handbook Reference), MLS004491719, SCHEMBL131312, MEGxm0_000452, orb1311043, SCHEMBL1961365, SCHEMBL3164161, SCHEMBL5538005, SCHEMBL29452306, SCHEMBL29966031, ACon1_001952, 4-Hydroxy-2H-chromen-2-one #, DTXSID50944748, PDK0015, 4-hydroxy-2h-1-benzopyran-2-on, HMS1607G02, 4-hydroxy-2-oxo-2H-1-benzopyran, HY-N6856, MSK11035, STR01861, BBL027616, BDBM50055710, EBC-48080, ICCB4_000134, SBB038533, STK801816, AKOS000119142, AKOS037515220, DB03410, FH07793, 4-HYDROXYCOUMARIN [USP IMPURITY], NCGC00179970-01, AC-13227, NCI60_000453, PD016118, SMR000112320, SY001614, DB-014485, CS-0015925, EU-0066799, H0235, NS00014742, ST50211285, EN300-17333, C20414, D71127, WARFARIN SODIUM IMPURITY B [EP IMPURITY], 4-Hydroxycoumarin, Vetec(TM) reagent grade, 98%, AH-034/32464035, F209309, SR-01000389319, 4-Hydroxy-1-benzopyran-2-one; 4-Coumarinyl alcohol, SR-01000389319-1, BRD-K48844111-001-01-4, Q25323691, Z56922074, 4-HYDROXY-1-BENZOPYRAN-2-ONE; 4-HYDROXYCOUMARIN, F0266-2972, InChI=1/C9H6O3/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-5,10, 4-Hydroxy-2H-benzo[b]pyran-2-one, 4-Hydroxychromen-2-one, NSC 11889, 4-Hydroxycoumarin,Warfarin Sodium Imp. B (EP), 4-Hydroxy-2H-1-benzopyran-2-one, Warfarin Imp. B (EP), 4-Coumarinol, Benzotetronic acid
Theoretical properties:
molecular_formula: C9H6O3
molecular_weight: 162.14 g/mol
exact_mass: 162.031694049 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 0
heavy_atom_count: 12
topological_polar_surface_area: 46.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: 4-hydroxycoumarin is a hydroxycoumarin that is coumarin in which the hydrogen at position 4 is replaced by a hydroxy group. It is a conjugate acid of a 4-hydroxycoumarin(1-).
chebi: A hydroxycoumarin that is coumarin in which the hydrogen at position 4 is replaced by a hydroxy group.
chembl: 4-HYDROXYCOUMARINS is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: 4-Hydroxycoumarin is a coumarin derivative with a hydroxy group at the 4-position.