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1179139-69-5 | [(3-Chloro-benzyl)-cyclopropyl-aMino]-acetic acid
CAS No: 1179139-69-5 Catalog No: AG0099LO MDL No:MFCD11919666
Product Description
Catalog Number:
AG0099LO
Chemical Name:
[(3-Chloro-benzyl)-cyclopropyl-aMino]-acetic acid
CAS Number:
1179139-69-5
Molecular Formula:
C12H14ClNO2
Molecular Weight:
239.6981
MDL Number:
MFCD11919666
IUPAC Name:
2-[(3-chlorophenyl)methyl-cyclopropylamino]acetic acid
InChI:
InChI=1S/C12H14ClNO2/c13-10-3-1-2-9(6-10)7-14(8-12(15)16)11-4-5-11/h1-3,6,11H,4-5,7-8H2,(H,15,16)
InChI Key:
MTPRUNUIPIQRJY-UHFFFAOYSA-N
SMILES:
OC(=O)CN(C1CC1)Cc1cccc(c1)Cl
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.071g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.699g/mol
Monoisotopic Mass:
239.071g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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