200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1002355-96-5
1002355-96-5 | 1-Azetidinecarboxylic acid, 3-(2-ethoxy-2-oxoethylidene)-, 1,1-dimethylethyl ester
CAS No: 1002355-96-5 Catalog No: AG0001BH MDL No:MFCD16140210
Product Description
Catalog Number:
AG0001BH
Chemical Name:
1-Azetidinecarboxylic acid, 3-(2-ethoxy-2-oxoethylidene)-, 1,1-dimethylethyl ester
CAS Number:
1002355-96-5
Molecular Formula:
C12H19NO4
Molecular Weight:
241.2836
MDL Number:
MFCD16140210
IUPAC Name:
tert-butyl 3-(2-ethoxy-2-oxoethylidene)azetidine-1-carboxylate
InChI:
InChI=1S/C12H19NO4/c1-5-16-10(14)6-9-7-13(8-9)11(15)17-12(2,3)4/h6H,5,7-8H2,1-4H3
InChI Key:
WYWJZDFQQJTRDD-UHFFFAOYSA-N
SMILES:
CCOC(=O)C=C1CN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.131g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.287g/mol
Monoisotopic Mass:
241.131g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.