200,000+ products from a single source!
sales@angenechem.com
83256-99-9 | Benzenepropanoic acid, 3-nitro-b-oxo-, methyl ester
CAS No: 83256-99-9 Catalog No: AG004U97 MDL No:MFCD11974600
Product Description
Catalog Number:
AG004U97
Chemical Name:
Benzenepropanoic acid, 3-nitro-b-oxo-, methyl ester
CAS Number:
83256-99-9
Molecular Formula:
C10H9NO5
Molecular Weight:
223.1822
MDL Number:
MFCD11974600
IUPAC Name:
methyl 3-(3-nitrophenyl)-3-oxopropanoate
InChI:
InChI=1S/C10H9NO5/c1-16-10(13)6-9(12)7-3-2-4-8(5-7)11(14)15/h2-5H,6H2,1H3
InChI Key:
DEDHBEWHJGEANM-UHFFFAOYSA-N
SMILES:
COC(=O)CC(=O)c1cccc(c1)[N+](=O)[O-]
NSC Number:
93929
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.048g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.184g/mol
Monoisotopic Mass:
223.048g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
89.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.