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119111-62-5 | Cyclopropanecarboxylic acid, 1-[(phenylmethyl)amino]-
CAS No: 119111-62-5 Catalog No: AG000I86 MDL No:
Product Description
Catalog Number:
AG000I86
Chemical Name:
Cyclopropanecarboxylic acid, 1-[(phenylmethyl)amino]-
CAS Number:
119111-62-5
Molecular Formula:
C11H13NO2
Molecular Weight:
191.2264
IUPAC Name:
1-(benzylamino)cyclopropane-1-carboxylic acid
InChI:
InChI=1S/C11H13NO2/c13-10(14)11(6-7-11)12-8-9-4-2-1-3-5-9/h1-5,12H,6-8H2,(H,13,14)
InChI Key:
OEAREUSJNXNILN-UHFFFAOYSA-N
SMILES:
OC(=O)C1(NCc2ccccc2)CC1
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.095g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
191.23g/mol
Monoisotopic Mass:
191.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
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