200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 210628-85-6
210628-85-6 | methyl (2Z)-2-cyano-3-(6-nitro-2H-1,3-benzodioxol-5-yl)prop-2-enoate
CAS No: 210628-85-6 Catalog No: AG00J06F MDL No:MFCD02066919
Product Description
Catalog Number:
AG00J06F
Chemical Name:
methyl (2Z)-2-cyano-3-(6-nitro-2H-1,3-benzodioxol-5-yl)prop-2-enoate
CAS Number:
210628-85-6
Molecular Formula:
C12H8N2O6
Molecular Weight:
276.2017
MDL Number:
MFCD02066919
IUPAC Name:
methyl 2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate
InChI:
InChI=1S/C12H8N2O6/c1-18-12(15)8(5-13)2-7-3-10-11(20-6-19-10)4-9(7)14(16)17/h2-4H,6H2,1H3
InChI Key:
CLUAMHXOLBPWKT-UHFFFAOYSA-N
SMILES:
N#C/C(=C/c1cc2OCOc2cc1[N+](=O)[O-])/C(=O)OC
Properties
Complexity:
488
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.038g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.204g/mol
Monoisotopic Mass:
276.038g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.