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7472-45-9 | ammonium phenylacetate
CAS No: 7472-45-9 Catalog No: AG005HXX MDL No:
Product Description
Catalog Number:
AG005HXX
Chemical Name:
ammonium phenylacetate
CAS Number:
7472-45-9
Molecular Formula:
C8H11NO2
Molecular Weight:
153.1784
IUPAC Name:
2-hydroxy-N-methyl-2,2-diphenylacetamide
InChI:
InChI=1S/C15H15NO2/c1-16-14(17)15(18,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,18H,1H3,(H,16,17)
InChI Key:
WOSLKBFSUORYCH-UHFFFAOYSA-N
SMILES:
[O-]C(=O)Cc1ccccc1.[NH4+]
NSC Number:
401954
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.11g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
241.29g/mol
Monoisotopic Mass:
241.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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