200,000+ products from a single source!
sales@angenechem.com
82325-23-3 | 2-Pentenedioic acid, 3-(phenylamino)-, dimethyl ester, (Z)-
CAS No: 82325-23-3 Catalog No: AG005DXO MDL No:
Product Description
Catalog Number:
AG005DXO
Chemical Name:
2-Pentenedioic acid, 3-(phenylamino)-, dimethyl ester, (Z)-
CAS Number:
82325-23-3
Molecular Formula:
C13H15NO4
Molecular Weight:
249.2625
IUPAC Name:
dimethyl 3-anilinopent-2-enedioate
InChI:
InChI=1S/C13H15NO4/c1-17-12(15)8-11(9-13(16)18-2)14-10-6-4-3-5-7-10/h3-8,14H,9H2,1-2H3
InChI Key:
BIUQRUAKRHXEBC-UHFFFAOYSA-N
SMILES:
COC(=O)C/C(=C/C(=O)OC)/Nc1ccccc1
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.266g/mol
Monoisotopic Mass:
249.1g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.