Home Carboxys 1-(phenylamino)cyclopropane-1-carboxylic acid

1-(phenylamino)cyclopropane-1-carboxylic acid

CAS No.:
210576-54-8
Catalog Number:
AG01C4TP
Molecular Formula:
C10H11NO2
Molecular Weight:
177.1998
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Product Description
Catalog Number:
AG01C4TP
Chemical Name:
1-(phenylamino)cyclopropane-1-carboxylic acid
CAS Number:
210576-54-8
Molecular Formula:
C10H11NO2
Molecular Weight:
177.1998
MDL Number:
MFCD20656060
IUPAC Name:
1-anilinocyclopropane-1-carboxylic acid
InChI:
InChI=1S/C10H11NO2/c12-9(13)10(6-7-10)11-8-4-2-1-3-5-8/h1-5,11H,6-7H2,(H,12,13)
InChI Key:
PEQKOXWTSSMZHA-UHFFFAOYSA-N
SMILES:
OC(=O)C1(CC1)Nc1ccccc1
Properties
Complexity:
205  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.079g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
177.203g/mol
Monoisotopic Mass:
177.079g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties