200,000+ products from a single source!
sales@angenechem.com
14617-97-1 | Butanoic acid, 3-nitrophenyl ester
CAS No: 14617-97-1 Catalog No: AG001DR8 MDL No:
Product Description
Catalog Number:
AG001DR8
Chemical Name:
Butanoic acid, 3-nitrophenyl ester
CAS Number:
14617-97-1
Molecular Formula:
C10H11NO4
Molecular Weight:
209.1986
IUPAC Name:
(3-nitrophenyl) butanoate
InChI:
InChI=1S/C10H11NO4/c1-2-4-10(12)15-9-6-3-5-8(7-9)11(13)14/h3,5-7H,2,4H2,1H3
InChI Key:
RANXQNXWSFGIES-UHFFFAOYSA-N
SMILES:
CCCC(=O)Oc1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.069g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.201g/mol
Monoisotopic Mass:
209.069g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.