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4036-30-0 | (S)-2-Phenylsuccinic acid
CAS No: 4036-30-0 Catalog No: AG003CI2 MDL No:MFCD00065929
Product Description
Catalog Number:
AG003CI2
Chemical Name:
(S)-2-Phenylsuccinic acid
CAS Number:
4036-30-0
Molecular Formula:
C10H10O4
Molecular Weight:
194.1840
MDL Number:
MFCD00065929
IUPAC Name:
(2S)-2-phenylbutanedioic acid
InChI:
InChI=1S/C10H10O4/c11-9(12)6-8(10(13)14)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,12)(H,13,14)/t8-/m0/s1
InChI Key:
LVFFZQQWIZURIO-QMMMGPOBSA-N
SMILES:
OC(=O)[C@H](c1ccccc1)CC(=O)O
EC Number:
223-719-3
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
194.058g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
194.186g/mol
Monoisotopic Mass:
194.058g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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