AG00I8SE

485-72-3 | 4H-1-Benzopyran-4-one, 7-hydroxy-3-(4-methoxyphenyl)-

AG00I8SE

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CAS Number	485-72-3
Catalog Number	AG00I8SE(AGN-PC-03E8OX)
Chemical Name	4H-1-Benzopyran-4-one, 7-hydroxy-3-(4-methoxyphenyl)-
EC Number	207-623-9
IUPAC Name	7-hydroxy-3-(4-methoxyphenyl)chromen-4-one
InChI	InChI=1S/C16H12O4/c1-19-12-5-2-10(3-6-12)14-9-20-15-8-11(17)4-7-13(15)16(14)18/h2-9,17H,1H3
InChI Key	HKQYGTCOTHHOMP-UHFFFAOYSA-N
MDL Number	MFCD00016948
Molecular Formula	C16H12O4
Molecular Weight	268.2641
NSC Number	93360
SMILES	O=C1C(C2=CC=C(OC)C=C2)=COC3=C1C=CC(O)=C3
UNII	295DQC67BJ
Synonyms	formononetin, formononetin, 4-(14)C-labeled, formononetin, 485-72-3, Biochanin B, Formononetol, 7-Hydroxy-4'-methoxyisoflavone, 7-hydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one, 4'-O-methyldaidzein, 7-hydroxy-3-(4-methoxyphenyl)chromen-4-one, 4H-1-Benzopyran-4-one, 7-hydroxy-3-(4-methoxyphenyl)-, UNII-295DQC67BJ, 7-Hydroxy-3-(4-methoxyphenyl)-4-benzopyrone, 7-Hydroxy-3-(4-methoxyphenyl)chromone, CHEBI:18088, Isoflavone, 7-hydroxy-4'-methoxy-, EINECS 207-623-9, MFCD00016948, NSC 93360, NSC-93360, 295DQC67BJ, HKQYGTCOTHHOMP-UHFFFAOYSA-N, NSC93360, AK106172, 7-hydroxy-3-(4-methoxyphenyl)-4H-benzopyran-4-one, Q-100540, 7-Hydroxy-3-(4′-methoxyphenyl)-4H-benzopyran-4-one, SMR000470932, SR-01000765510, formononetine, 7-hydroxy-4'-methoxy-isoflavone, Formononetin,(S), Formononetin, 98%, PubChem9850, AC1NQWYT, Spectrum_000373, SpecPlus_000223, Daidzein 4-methyl ether, Spectrum2_000560, Spectrum3_000660, Spectrum4_001429, Spectrum5_000258, Formononetin(Formononetol), DSSTox_CID_2311, Formononetin (Formononetol), DSSTox_RID_76544, NCIOpen2_005983, DSSTox_GSID_22311, Oprea1_139748, Oprea1_815287, SCHEMBL62915, BSPBio_002299, KBioGR_001878, KBioSS_000853, SPECTRUM102007, MLS000697593, MLS006011897, BIDD:ER0119, DivK1c_006319, SPBio_000639, CHEMBL242341, DTXSID4022311, CTK8C4788, Formononetin, analytical standard, KBio1_001263, KBio2_000853, KBio2_003421, KBio2_005989, KBio3_001519, KS-00000HZV, HMS1922N18, HMS2231I04, HMS3369C07, HMS3655N22, ALBB-030789, Formononetin, >=99.0% (TLC), HY-N0183, TNP00176, Tox21_301848, ANW-73131, BBL010458, BDBM50021398, CCG-38727, CF0045, IN1330, LMPK12050037, s2299, SBB016445, STK801612, ZINC18847036, AKOS000270811, AC-8001, AN-8422, CS-3081, MCULE-4171151967, SDCCGMLS-0066428.P001, 7-hydroxy-4'-methoxy-Isoflavone (8CI), NCGC00017269-01, NCGC00017269-02, NCGC00017269-03, NCGC00017269-04, NCGC00017269-05, NCGC00017269-06, NCGC00017269-07, NCGC00095207-01, NCGC00095207-02, NCGC00095207-03, NCGC00178715-01, NCGC00255167-01, 4CN-0880, AJ-70674, AS-11642, BC216233, CAS-485-72-3, CC-28828, LS-39701, NCI60_042081, SC-04770, ST024713, AB0010475, AX8016260, Isoflavone, 7-hydroxy-4'-methoxy- (8CI), Neochanin; Flavosil;NEOCHANIN;Formononetol, F0868, FT-0626540, FT-0632204, K-080, N1625, SW219915-1, 3-(4-methoxyphenyl)-7-oxidanyl-chromen-4-one, C00858, AB00052676-07, 485F723, A827555, AE-641/01968055, C-16842, 7-hydroxy-3-(4-methoxyphenyl)-1-benzopyran-4-one, I06-0241, SR-01000765510-3, SR-01000765510-4, BRD-K55567017-001-02-4, BRD-K55567017-001-06-5, F3139-1207, 7-hydroxy-3-(4-methoxyphenyl)-4H-benzopyran-4-one(9CI), 4H-1-Benzopyran-4-one, 7-hydroxy-3-(4-methoxyphenyl)- (9CI), Formononetin, United States Pharmacopeia (USP) Reference Standard, 7-Hydroxy-3-(4-methoxyphenyl)-4H-1-benzopyran-4-one, 7-Hydroxy-3-(4-methoxyphenyl)chromone, 7-Hydroxy-4'-methoxyisoflavone, D0M7BR, C16H12O4, formononetin, 4-(14)C-labeled, 7-Hydroxy-4'-methoxyisoflavanone, Ki16425, ACN-035330, C16-H12-O4, CID5280378, A10406, C007768, 7-Hydroxy-3-(4-methoxyphenyl)-4H-1-benzopyran-4-one, 3-(4-(4-((1-(2-chlorophenyl)ethoxy)carbonyl)-3-methylisoxazol-5-yl)benzylthio)propanoic acid, 355025-24-0,

Complexity	395
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	268.074g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	268.268g/mol
Monoisotopic Mass	268.074g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	55.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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