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7782-26-5 | (R)-2-Phenylpropanoic acid
CAS No: 7782-26-5 Catalog No: AG003C30 MDL No:MFCD00063140
Product Description
Catalog Number:
AG003C30
Chemical Name:
(R)-2-Phenylpropanoic acid
CAS Number:
7782-26-5
Molecular Formula:
C9H10O2
Molecular Weight:
150.1745
MDL Number:
MFCD00063140
IUPAC Name:
(2R)-2-phenylpropanoic acid
InChI:
InChI=1S/C9H10O2/c1-7(9(10)11)8-5-3-2-4-6-8/h2-7H,1H3,(H,10,11)/t7-/m1/s1
InChI Key:
YPGCWEMNNLXISK-SSDOTTSWSA-N
SMILES:
C[C@H](c1ccccc1)C(=O)O
UNII:
3YF5O2136L
Properties
Complexity:
137
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
150.068g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
150.177g/mol
Monoisotopic Mass:
150.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| Challenges of crystal structure prediction of diastereomeric salt pairs. | The journal of physical chemistry. B 20050915 |
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