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1236144-55-0 | 3-Azetidinecarboxylic acid, 1-[(4-cyanophenyl)methyl]-
CAS No: 1236144-55-0 Catalog No: AG000KVD MDL No:
Product Description
Catalog Number:
AG000KVD
Chemical Name:
3-Azetidinecarboxylic acid, 1-[(4-cyanophenyl)methyl]-
CAS Number:
1236144-55-0
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
IUPAC Name:
1-[(4-cyanophenyl)methyl]azetidine-3-carboxylic acid
InChI:
InChI=1S/C12H12N2O2/c13-5-9-1-3-10(4-2-9)6-14-7-11(8-14)12(15)16/h1-4,11H,6-8H2,(H,15,16)
InChI Key:
ANRTVWAZQXYUEP-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)CN1CC(C1)C(=O)O
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.24g/mol
Monoisotopic Mass:
216.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5
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