AG003RPI

56024-44-3 | Dihydro Ferulic Acid Methyl Ester

AG003RPI

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CAS Number	56024-44-3
Catalog Number	AG003RPI(AGN-PC-0JSB7L)
Chemical Name	Dihydro Ferulic Acid Methyl Ester
IUPAC Name	methyl 3-(4-hydroxy-3-methoxyphenyl)propanoate
InChI	InChI=1S/C11H14O4/c1-14-10-7-8(3-5-9(10)12)4-6-11(13)15-2/h3,5,7,12H,4,6H2,1-2H3
InChI Key	PDTCYIZPTRRYOT-UHFFFAOYSA-N
MDL Number	MFCD11975434
Molecular Formula	C12H16O3
Molecular Weight	208.2536
SMILES	COC(C=C1CCC(OC)=O)=C(C=C1)C
Synonyms	56024-44-3, Methyl 3-(4-Hydroxy-3-methoxyphenyl)propionate, methyl 3-(4-hydroxy-3-methoxyphenyl)propanoate, Methyl Dihydroferulate, Methyl Hydroferulate, PDTCYIZPTRRYOT-UHFFFAOYSA-N, Methyl 3-[4-Hydroxy-3-(methyloxy)phenyl]propanoate, AC1LAYAN, ACMC-1AZ1R, SCHEMBL490876, CHEMBL226919, dihydroferulic acid methyl ester, Benzenepropanoic acid, 4-hydroxy-3-methoxy, methyl ester, CTK8B1912, DTXSID40335186, ANW-32442, MFCD11975434, ZINC15113184, AKOS025393420, MCULE-6818657862, MS-9665, TRA-0184272, Methyl 4-hydroxy-3-methoxybenzenepropanoate, TC-121187, FT-0666947, M1803, methyl 3-(3-methoxy-4-hydroxyphenyl)propionate, methyl 3-(3-methoxy-4-hydroxyphenyl)-propionate, 4-Hydroxy-3-methoxy-hydrocinnamic Acid Methyl Ester, 4-hydroxy-3-methoxyphenylpropionic acid methyl ester, Hydrocinnamic acid, 4-hydroxy-3-methoxy-, methyl ester, I14-108373, 3-(4-Hydroxy-3-methoxyphenyl)propionic Acid Methyl Ester, Benzenepropanoic acid, 4-hydroxy-3-methoxy-, methyl ester, Dihydro Ferulic Acid Methyl Ester, CID523498,

Complexity	205
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	210.089g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	210.229g/mol
Monoisotopic Mass	210.089g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	55.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

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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