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Home > Nitro Compounds > 95192-59-9
95192-59-9 | 4-Methoxy-2,6-dinitrobenzoic acid
CAS No: 95192-59-9 Catalog No: AG00JA25 MDL No:MFCD06410773
Product Description
Catalog Number:
AG00JA25
Chemical Name:
4-Methoxy-2,6-dinitrobenzoic acid
CAS Number:
95192-59-9
Molecular Formula:
C8H6N2O7
Molecular Weight:
242.1424
MDL Number:
MFCD06410773
IUPAC Name:
4-methoxy-2,6-dinitrobenzoic acid
InChI:
InChI=1S/C8H6N2O7/c1-17-4-2-5(9(13)14)7(8(11)12)6(3-4)10(15)16/h2-3H,1H3,(H,11,12)
InChI Key:
DHLQYRJLNSXMPW-UHFFFAOYSA-N
SMILES:
COc1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C(=O)O
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.018g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.143g/mol
Monoisotopic Mass:
242.018g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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