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3070-71-1 | Benzenepropanoic acid, α-methylene-, methyl ester
CAS No: 3070-71-1 Catalog No: AG003116 MDL No:MFCD07787445
Product Description
Catalog Number:
AG003116
Chemical Name:
Benzenepropanoic acid, α-methylene-, methyl ester
CAS Number:
3070-71-1
Molecular Formula:
C11H12O2
Molecular Weight:
176.2118
MDL Number:
MFCD07787445
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
SMILES:
COC(=O)C(=C)Cc1ccccc1
Properties
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
Literature
| Title | Journal |
|---|---|
| An expedient, facile and simple one-pot synthesis of 2-methylenealkanoates and alkanenitriles from the Baylis-Hillman bromides in aqueous media. | Nature protocols 20070101 |
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