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17833-57-7 | Benzeneacetic acid, 4-(2-amino-2-oxoethyl)-
CAS No: 17833-57-7 Catalog No: AG0025Y4 MDL No:
Product Description
Catalog Number:
AG0025Y4
Chemical Name:
Benzeneacetic acid, 4-(2-amino-2-oxoethyl)-
CAS Number:
17833-57-7
Molecular Formula:
C10H11NO3
Molecular Weight:
193.1992
IUPAC Name:
2-[4-(2-amino-2-oxoethyl)phenyl]acetic acid
InChI:
InChI=1S/C10H11NO3/c11-9(12)5-7-1-3-8(4-2-7)6-10(13)14/h1-4H,5-6H2,(H2,11,12)(H,13,14)
InChI Key:
PYCSFPQRNLGYDJ-UHFFFAOYSA-N
SMILES:
NC(=O)Cc1ccc(cc1)CC(=O)O
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.074g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
193.202g/mol
Monoisotopic Mass:
193.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
80.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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