AG00102R

132017-98-2 | 3-(2-Hydroxy-4-methoxy-phenyl)-3-oxo-propionic acid methyl ester

AG00102R

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CAS Number	132017-98-2
Catalog Number	AG00102R(AGN-PC-0PJM6O)
Chemical Name	3-(2-Hydroxy-4-methoxy-phenyl)-3-oxo-propionic acid methyl ester
IUPAC Name	methyl 3-(2-hydroxy-4-methoxyphenyl)-3-oxopropanoate
InChI	InChI=1S/C11H12O5/c1-15-7-3-4-8(9(12)5-7)10(13)6-11(14)16-2/h3-5,12H,6H2,1-2H3
InChI Key	AZJQOYPDNARFMM-UHFFFAOYSA-N
MDL Number	MFCD06658481
Molecular Formula	C11H12O5
Molecular Weight	224.2100
SMILES	COC(CC(C1=C(O)C=C(OC)C=C1)=O)=O
Synonyms	132017-98-2, METHYL 3-(2-HYDROXY-4-METHOXYPHENYL)-3-OXOPROPANOATE, 3-(2-Hydroxy-4-methoxy-phenyl)-3-oxo-propionic acid methyl ester, CHEMBL166051, 3-(2-Hydroxy-4-methoxyphenyl)-3-oxo-propionic acid methyl ester, 3-(2-HYDROXY-4-METHOXY-PHENYL)-3-OXO-PROPANOIC ACID METHYL ESTER, CTK4B7657, DTXSID50564066, 7387AH, AB1522, BDBM50011451, MFCD06658481, ZINC13820390, AKOS022180820, AJ-64419, RT-008317, A-7438, H57443, A806350, 3-(2-hydroxy-4-methoxyphenyl)-3-oxopropanoic acid methyl ester, Benzenepropanoic acid, 2-hydroxy-4-methoxy-beta-oxo-, methyl ester, methyl 3-(4-methoxy-2-oxidanyl-phenyl)-3-oxidanylidene-propanoate, AZJQOYPDNARFMM-UHFFFAOYSA-N, C11H12O5,

Complexity	263
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	224.068g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	224.212g/mol
Monoisotopic Mass	224.068g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	72.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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