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772-15-6 | (S)-3-Phenylbutyric acid
CAS No: 772-15-6 Catalog No: AG003CM5 MDL No:MFCD00077842
Product Description
Catalog Number:
AG003CM5
Chemical Name:
(S)-3-Phenylbutyric acid
CAS Number:
772-15-6
Molecular Formula:
C10H12O2
Molecular Weight:
164.2011
MDL Number:
MFCD00077842
IUPAC Name:
(3S)-3-phenylbutanoic acid
InChI:
InChI=1S/C10H12O2/c1-8(7-10(11)12)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,11,12)/t8-/m0/s1
InChI Key:
ZZEWMYILWXCRHZ-QMMMGPOBSA-N
SMILES:
C[C@H](c1ccccc1)CC(=O)O
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
164.084g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
164.204g/mol
Monoisotopic Mass:
164.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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