200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 90564-41-3
90564-41-3 | 2,4-Dimethoxy-5-nitrobenzoic acid
CAS No: 90564-41-3 Catalog No: AG003FTI MDL No:MFCD12173036
Product Description
Catalog Number:
AG003FTI
Chemical Name:
2,4-Dimethoxy-5-nitrobenzoic acid
CAS Number:
90564-41-3
Molecular Formula:
C9H9NO6
Molecular Weight:
227.1709
MDL Number:
MFCD12173036
IUPAC Name:
2,4-dimethoxy-5-nitrobenzoic acid
InChI:
InChI=1S/C9H9NO6/c1-15-7-4-8(16-2)6(10(13)14)3-5(7)9(11)12/h3-4H,1-2H3,(H,11,12)
InChI Key:
RECRLCHPXXOYHZ-UHFFFAOYSA-N
SMILES:
COc1cc(OC)c(cc1[N+](=O)[O-])C(=O)O
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.043g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.172g/mol
Monoisotopic Mass:
227.043g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.