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1472-07-7 | Benzenepropanoic acid, β-methyl-, methyl ester, (βR)-
CAS No: 1472-07-7 Catalog No: AG001EP7 MDL No:
Product Description
Catalog Number:
AG001EP7
Chemical Name:
Benzenepropanoic acid, β-methyl-, methyl ester, (βR)-
CAS Number:
1472-07-7
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
IUPAC Name:
methyl (3R)-3-phenylbutanoate
InChI:
InChI=1S/C11H14O2/c1-9(8-11(12)13-2)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3/t9-/m1/s1
InChI Key:
DSWKGCIHFICHAC-SECBINFHSA-N
SMILES:
COC(=O)C[C@H](c1ccccc1)C
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
178.099g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.231g/mol
Monoisotopic Mass:
178.099g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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