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1184140-78-0 | [(3-Cyano-benzyl)-cyclopropyl-amino]-acetic acid
CAS No: 1184140-78-0 Catalog No: AG01F9FX MDL No:
Product Description
Catalog Number:
AG01F9FX
Chemical Name:
[(3-Cyano-benzyl)-cyclopropyl-amino]-acetic acid
CAS Number:
1184140-78-0
Molecular Formula:
C13H14N2O2
Molecular Weight:
230.2625
IUPAC Name:
2-[(3-cyanophenyl)methyl-cyclopropylamino]acetic acid
InChI:
InChI=1S/C13H14N2O2/c14-7-10-2-1-3-11(6-10)8-15(9-13(16)17)12-4-5-12/h1-3,6,12H,4-5,8-9H2,(H,16,17)
InChI Key:
JDBDYQHVKZJBED-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)CN(C1CC1)CC(=O)O
Properties
Complexity:
330
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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