Home Aminos Benzoic acid, 2-[(1-cyanoethyl)amino]-, (+)- (9CI)

Benzoic acid, 2-[(1-cyanoethyl)amino]-, (+)- (9CI)

CAS No.:
70667-79-7
Catalog Number:
AG00FJS0
Molecular Formula:
C10H10N2O2
Molecular Weight:
190.1986
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Product Description
Catalog Number:
AG00FJS0
Chemical Name:
Benzoic acid, 2-[(1-cyanoethyl)amino]-, (+)- (9CI)
CAS Number:
70667-79-7
Molecular Formula:
C10H10N2O2
Molecular Weight:
190.1986
MDL Number:
MFCD18824150
IUPAC Name:
2-(1-cyanoethylamino)benzoic acid
InChI:
InChI=1S/C10H10N2O2/c1-7(6-11)12-9-5-3-2-4-8(9)10(13)14/h2-5,7,12H,1H3,(H,13,14)
InChI Key:
FOQDXYNJJGJFPS-UHFFFAOYSA-N
SMILES:
N#CC(Nc1ccccc1C(=O)O)C
Properties
Complexity:
256  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.074g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
190.202g/mol
Monoisotopic Mass:
190.074g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
73.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties