AG003LI1

1081-71-6 | 4-Hydroxy-3-Methoxyphenylpyruvic Acid

AG003LI1

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CAS Number	1081-71-6
Catalog Number	AG003LI1(AGN-PC-0OY5G3)
Chemical Name	4-Hydroxy-3-Methoxyphenylpyruvic Acid
IUPAC Name	3-(4-hydroxy-3-methoxyphenyl)-2-oxopropanoic acid
InChI	InChI=1S/C10H10O5/c1-15-9-5-6(2-3-7(9)11)4-8(12)10(13)14/h2-3,5,11H,4H2,1H3,(H,13,14)
InChI Key	YGQHQTMRZPHIBB-UHFFFAOYSA-N
MDL Number	MFCD00056707
Molecular Formula	C10H10O5
Molecular Weight	210.1834
NSC Number	302091
SMILES	COC1=C(O)C=CC(CC(C(O)=O)=O)=C1
UNII	VS94VB17BP
Synonyms	3-methoxy-4-hydroxyphenylpyruvic acid, 4-hydroxy-3-methoxyphenylpyruvic acid, HMPPA, vanilpyruvic acid, vanilpyruvic acid, (14)C-labeled, Vanilpyruvic acid, 1081-71-6, 4-Hydroxy-3-methoxyphenylpyruvic acid, 3-(4-Hydroxy-3-methoxyphenyl)-2-oxopropanoic acid, 3-Methoxy-4-hydroxyphenylpyruvic acid, UNII-VS94VB17BP, VS94VB17BP, Hmppa cpd, Vanil pyruvic acid, NSC 302091, ACMC-2098z3, AC1L236E, SCHEMBL2460191, CHEBI:88402, CTK4A5894, DTXSID10148407, YGQHQTMRZPHIBB-UHFFFAOYSA-N, KS-000011WH, ZINC1567073, 4-Hydroxy-3-methoxyphenylpyruvicAcid, ANW-15901, ARJ103470, MFCD00056707, NSC302091, AKOS000138078, CS-6318, NSC-302091, HY-101416, TC-104646, FT-0702580, Phenylacetylformic acid, 4-hydroxy-3-methoxy-, Phenylacetylformic acid, 4-hydroxy-5-methoxy-, Benzenepropanoic acid,4-hydroxy-3-methoxy-a-oxo-, 4- Hydroxy-3-methoxy-alpha-oxobenzenepropanoic acid, 3-(4-Hydroxy-3-methoxyphenyl)-2-oxopropanoic acid #, 3-(4-Hydroxy-3-methoxyphenyl)-2-oxopropanoic acid, AldrichCPR, CID14124, C10-H10-O5, H0539,

Complexity	250
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	210.053g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	210.185g/mol
Monoisotopic Mass	210.053g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	83.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

Lot Number