AG003JR9

3468-01-7 | 3-Methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylic acid

AG003JR9

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CAS Number	3468-01-7
Catalog Number	AG003JR9(AGN-PC-07Y4QF)
Chemical Name	3-Methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylic acid
EC Number	222-425-2
IUPAC Name	3-methyl-4-oxo-2-phenylchromene-8-carboxylic acid
InChI	InChI=1S/C17H12O4/c1-10-14(18)12-8-5-9-13(17(19)20)16(12)21-15(10)11-6-3-2-4-7-11/h2-9H,1H3,(H,19,20)
InChI Key	KMMBBZOSQNLLMN-UHFFFAOYSA-N
MDL Number	MFCD00040998
Molecular Formula	C17H12O4
Molecular Weight	280.2748
SMILES	CC1=C(OC2=C(C=CC=C2C(O)=O)C1=O)C1=CC=CC=C1
UNII	O8RCM70C48
Synonyms	3-methylflavone-8-carboxylic acid, 3-Methylflavone-8-carboxylic acid, 3468-01-7, 3-Methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylic acid, 8-Carboxy-3-methylflavone, 4H-1-Benzopyran-8-carboxylicacid, 3-methyl-4-oxo-2-phenyl-, 3-methyl-4-oxo-2-phenylchromene-8-carboxylic acid, UNII-O8RCM70C48, O8RCM70C48, 4H-1-Benzopyran-8-carboxylic acid, 3-methyl-4-oxo-2-phenyl-, CHEBI:61237, KMMBBZOSQNLLMN-UHFFFAOYSA-N, MFCD00040998, 3-Methyl-4-oxo-2-phenyl-4H-1-benzopyran-8-carboxylic acid, Enamine_005545, 3-Methylflavone-8-carboxylicacid, ACMC-20a6bq, AC1Q2G8R, AC1Q5V2F, CHEMBL1615, KSC223S3J, AC1L2S69, BEN049, SCHEMBL2480956, Jsp000009, 3-Methylflavone-8-carboxaldehyde, CTK1C3934, KS-00000YKV, ZINC57646, DTXSID00188231, HMS1409M01, BCP10531, EINECS 222-425-2, AC-103, AN-772, ANW-59124, BBL010098, CM-536, CM0057, LMPK12113395, SBB001131, STK801454, AKOS000120623, MCULE-8330970379, NE10963, RL03286, TRA0028786, AJ-09762, BC216381, H310, ST098999, 3-Methylflavone-8-carboxylic acid (MFCA), AB1004798, DB-028552, RT-003941, ST2417796, TL8002580, 3-Methyl-2-phenylchromone-8-carboxylic Acid, FT-0616159, FT-0657025, M2371, EN300-17190, 468M017, SR-01000041080, 3-methyl-4-oxo-2-phenyl-chromene-8-carboxylic acid, I01-2797, I14-7399, SR-01000041080-1, W-106715, 8-carboxy-3-methyl-4-oxo-2-phenyl-4H-1-benzopyran, 2-Phenyl-3-methyl-4-oxo-4H-1-benzopyran-8-carboxylic acid, 3-methyl-4-oxo-2-phenyl-4H-1-Benzopyran-8-carboxylicacid, 3-Methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylic acid #, C17H12O4, CID77016, AR-1F4304, CS-O-06097, A1321, 3862-05-3,

Complexity	473
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	280.074g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	280.279g/mol
Monoisotopic Mass	280.074g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	63.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

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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