200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 4033-88-9
4033-88-9 | Dimethyl 2-(4-nitrophenyl);malonate
CAS No: 4033-88-9 Catalog No: AG0073FL MDL No:MFCD03425806
Product Description
Catalog Number:
AG0073FL
Chemical Name:
Dimethyl 2-(4-nitrophenyl);malonate
CAS Number:
4033-88-9
Molecular Formula:
C11H11NO6
Molecular Weight:
253.2081
MDL Number:
MFCD03425806
IUPAC Name:
dimethyl 2-(4-nitrophenyl)propanedioate
InChI:
InChI=1S/C11H11NO6/c1-17-10(13)9(11(14)18-2)7-3-5-8(6-4-7)12(15)16/h3-6,9H,1-2H3
InChI Key:
PYUABAXAUVLRNX-UHFFFAOYSA-N
SMILES:
COC(=O)C(c1ccc(cc1)[N+](=O)[O-])C(=O)OC
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.059g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.21g/mol
Monoisotopic Mass:
253.059g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
98.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.