AG003116

3070-71-1 | Benzenepropanoic acid, α-methylene-, methyl ester

AG003116

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CAS Number	3070-71-1
Catalog Number	AG003116(AGN-PC-0R65VN)
Chemical Name	Benzenepropanoic acid, α-methylene-, methyl ester
IUPAC Name	methyl 2-benzylprop-2-enoate
InChI	InChI=1S/C11H12O2/c1-9(11(12)13-2)8-10-6-4-3-5-7-10/h3-7H,1,8H2,2H3
InChI Key	DQQJYBYIABSMFM-UHFFFAOYSA-N
MDL Number	MFCD07787445
Molecular Formula	C11H12O2
Molecular Weight	176.2118
SMILES	C=C(CC1=CC=CC=C1)C(OC)=O
Synonyms	methyl 2-benzylacrylate, 3070-71-1, 2-Benzyl Acrylic acid methyl ester, methyl 2-benzylprop-2-enoate, 2-Benzylacrylic acid methyl ester, DQQJYBYIABSMFM-UHFFFAOYSA-N, Benzenepropanoic acid, alpha-methylene-, methyl ester, Benzenepropanoic acid, .alpha.-methylene-, methyl ester, Methyl 2-benzylarylate, Methyl a-Benzylacrylate, methyl-2-benzylacrylate, AC1LB3NH, Methyl 2-benzyl acrylate, methyl alpha-benzylacrylate, AC1Q5YK1, Hydrocinnamic acid, .alpha.-methylene-, methyl ester, SCHEMBL1666500, Jsp005788, CTK4G5740, DTXSID50341793, methyl 2-(phenylmethyl)propenoate, ACT02921, KS-000019UJ, ANW-46228, MFCD07787445, ZINC21991898, methyl 2-(phenylmethyl)prop-2-enoate, methyl alpha-methylenebenzenepropanoate, AKOS006284944, VZ23823, AJ-79737, AS-10966, BC214990, TC-134973, FT-0660040, ST24030934, 2-(phenylmethyl)-2-propenoic acid methyl ester, M-2679, 070M711, A820573, Benzenepropanoic acid, a-methylene-, methyl ester, I01-3593, J-018077, C11H12O2, AR-1J4696, CID575761, 30922-68-0,

Complexity	190
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	176.084g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	176.215g/mol
Monoisotopic Mass	176.084g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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