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17647-93-7 | Benzenepropanoic acid, α-oxo-, potassium salt (1:1)
CAS No: 17647-93-7 Catalog No: AG0024PS MDL No:
Product Description
Catalog Number:
AG0024PS
Chemical Name:
Benzenepropanoic acid, α-oxo-, potassium salt (1:1)
CAS Number:
17647-93-7
Molecular Formula:
C9H7KO3
Molecular Weight:
202.2484
IUPAC Name:
potassium;2-oxo-3-phenylpropanoate
InChI:
InChI=1S/C9H8O3.K/c10-8(9(11)12)6-7-4-2-1-3-5-7;/h1-5H,6H2,(H,11,12);/q;+1/p-1
InChI Key:
WFKKYCVCTIWUJJ-UHFFFAOYSA-M
SMILES:
O=C(C(=O)[O-])Cc1ccccc1.[K+]
EC Number:
241-630-8
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.003g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.25g/mol
Monoisotopic Mass:
202.003g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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