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1260874-83-6 | 3-Azetidinecarboxylic acid, 1-(2-cyanophenyl)-
CAS No: 1260874-83-6 Catalog No: AG000RHM MDL No:MFCD11037391
Product Description
Catalog Number:
AG000RHM
Chemical Name:
3-Azetidinecarboxylic acid, 1-(2-cyanophenyl)-
CAS Number:
1260874-83-6
Molecular Formula:
C11H10N2O2
Molecular Weight:
202.2093
MDL Number:
MFCD11037391
IUPAC Name:
1-(2-cyanophenyl)azetidine-3-carboxylic acid
InChI:
InChI=1S/C11H10N2O2/c12-5-8-3-1-2-4-10(8)13-6-9(7-13)11(14)15/h1-4,9H,6-7H2,(H,14,15)
InChI Key:
VZKGIBUJPUJLNV-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1N1CC(C1)C(=O)O
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.074g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
202.213g/mol
Monoisotopic Mass:
202.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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