200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 29544-89-6
29544-89-6 | Benzoic acid, 4-methoxy-3,5-dinitro-, methyl ester
CAS No: 29544-89-6 Catalog No: AG002YOX MDL No:MFCD00435122
Product Description
Catalog Number:
AG002YOX
Chemical Name:
Benzoic acid, 4-methoxy-3,5-dinitro-, methyl ester
CAS Number:
29544-89-6
Molecular Formula:
C9H8N2O7
Molecular Weight:
256.1690
MDL Number:
MFCD00435122
IUPAC Name:
methyl 4-methoxy-3,5-dinitrobenzoate
InChI:
InChI=1S/C9H8N2O7/c1-17-8-6(10(13)14)3-5(9(12)18-2)4-7(8)11(15)16/h3-4H,1-2H3
InChI Key:
OEVBZFLQEMIXOS-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])OC
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.033g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.17g/mol
Monoisotopic Mass:
256.033g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
127A^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.