200,000+ products from a single source!

sales@angenechem.com

Home > Other Building Blocks > 823802-79-5

823802-79-5

823802-79-5 | Benzoic acid, 4-(4,4-dimethyl-3-oxo-1-pyrazolidinyl)-, ethyl ester

CAS No: 823802-79-5 Catalog No: AG005CWN MDL No:

Product Description

Catalog Number:
AG005CWN
Chemical Name:
Benzoic acid, 4-(4,4-dimethyl-3-oxo-1-pyrazolidinyl)-, ethyl ester
CAS Number:
823802-79-5
Molecular Formula:
C14H18N2O3
Molecular Weight:
262.3043
IUPAC Name:
ethyl 4-(4,4-dimethyl-3-oxopyrazolidin-1-yl)benzoate
InChI:
InChI=1S/C14H18N2O3/c1-4-19-12(17)10-5-7-11(8-6-10)16-9-14(2,3)13(18)15-16/h5-8H,4,9H2,1-3H3,(H,15,18)
InChI Key:
WDVPZJGLTGZKRX-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1)N1NC(=O)C(C1)(C)C

Properties

Complexity:
360  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.132g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
262.309g/mol
Monoisotopic Mass:
262.132g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  

Related Products

© 2019 Angene International Limited. All rights Reserved.