200,000+ products from a single source!
sales@angenechem.com
88488-53-3 | Butanoic acid, 3-oxo-, 1-methyl-2-(nitrooxy)ethyl ester
CAS No: 88488-53-3 Catalog No: AG0049R7 MDL No:
Product Description
Catalog Number:
AG0049R7
Chemical Name:
Butanoic acid, 3-oxo-, 1-methyl-2-(nitrooxy)ethyl ester
CAS Number:
88488-53-3
Molecular Formula:
C7H11NO6
Molecular Weight:
205.1653
IUPAC Name:
1-nitrooxypropan-2-yl 3-oxobutanoate
InChI:
InChI=1S/C7H11NO6/c1-5(9)3-7(10)14-6(2)4-13-8(11)12/h6H,3-4H2,1-2H3
InChI Key:
SXFBNQAZGJFLDV-UHFFFAOYSA-N
SMILES:
CC(=O)CC(=O)OC(CO[N+](=O)[O-])C
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.059g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.166g/mol
Monoisotopic Mass:
205.059g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
98.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.