200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1245652-75-8
1245652-75-8 | 1-Pyrrolidinecarboxylic acid, 2-(2-nitroethenyl)-, 1,1-dimethylethyl ester
CAS No: 1245652-75-8 Catalog No: AG000MDW MDL No:
Product Description
Catalog Number:
AG000MDW
Chemical Name:
1-Pyrrolidinecarboxylic acid, 2-(2-nitroethenyl)-, 1,1-dimethylethyl ester
CAS Number:
1245652-75-8
Molecular Formula:
C11H18N2O4
Molecular Weight:
242.2716
IUPAC Name:
tert-butyl 2-[(E)-2-nitroethenyl]pyrrolidine-1-carboxylate
InChI:
InChI=1S/C11H18N2O4/c1-11(2,3)17-10(14)12-7-4-5-9(12)6-8-13(15)16/h6,8-9H,4-5,7H2,1-3H3/b8-6+
InChI Key:
PAWKTAHOTPAHNV-SOFGYWHQSA-N
SMILES:
[O-][N+](=O)C=CC1CCCN1C(=O)OC(C)(C)C
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
242.127g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.275g/mol
Monoisotopic Mass:
242.127g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.