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1183754-22-4 | [(4-Cyano-benzyl)-cyclopropyl-amino]-acetic acid
CAS No: 1183754-22-4 Catalog No: AG01F9FV MDL No:
Product Description
Catalog Number:
AG01F9FV
Chemical Name:
[(4-Cyano-benzyl)-cyclopropyl-amino]-acetic acid
CAS Number:
1183754-22-4
Molecular Formula:
C13H14N2O2
Molecular Weight:
230.2625
IUPAC Name:
2-[(4-cyanophenyl)methyl-cyclopropylamino]acetic acid
InChI:
InChI=1S/C13H14N2O2/c14-7-10-1-3-11(4-2-10)8-15(9-13(16)17)12-5-6-12/h1-4,12H,5-6,8-9H2,(H,16,17)
InChI Key:
BJUAHXIAZOCCIN-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)CN(C1CC1)CC(=O)O
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.106g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.267g/mol
Monoisotopic Mass:
230.106g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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