200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1236144-53-8
1236144-53-8 | 3-Azetidinecarboxylic acid, 1-[(4-cyanophenyl)methyl]-, 1,1-dimethylethyl ester
CAS No: 1236144-53-8 Catalog No: AG000KVE MDL No:
Product Description
Catalog Number:
AG000KVE
Chemical Name:
3-Azetidinecarboxylic acid, 1-[(4-cyanophenyl)methyl]-, 1,1-dimethylethyl ester
CAS Number:
1236144-53-8
Molecular Formula:
C16H20N2O2
Molecular Weight:
272.3422
IUPAC Name:
tert-butyl 1-[(4-cyanophenyl)methyl]azetidine-3-carboxylate
InChI:
InChI=1S/C16H20N2O2/c1-16(2,3)20-15(19)14-10-18(11-14)9-13-6-4-12(8-17)5-7-13/h4-7,14H,9-11H2,1-3H3
InChI Key:
ZLGJRPZLBZZQNA-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)CN1CC(C1)C(=O)OC(C)(C)C
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.152g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.348g/mol
Monoisotopic Mass:
272.152g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
53.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.