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Home > Nitro Compounds > 89-41-8
89-41-8 | 4-Methoxy-3-nitrobenzoic acid
CAS No: 89-41-8 Catalog No: AG003LMV MDL No:MFCD00007256
Product Description
Catalog Number:
AG003LMV
Chemical Name:
4-Methoxy-3-nitrobenzoic acid
CAS Number:
89-41-8
Molecular Formula:
C8H7NO5
Molecular Weight:
197.1449
MDL Number:
MFCD00007256
IUPAC Name:
4-methoxy-3-nitrobenzoic acid
InChI:
InChI=1S/C8H7NO5/c1-14-7-3-2-5(8(10)11)4-6(7)9(12)13/h2-4H,1H3,(H,10,11)
InChI Key:
ANXBDAFDZSXOPQ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1[N+](=O)[O-])C(=O)O
EC Number:
201-906-0
UNII:
DD71O31OLZ
NSC Number:
29085
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.032g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.146g/mol
Monoisotopic Mass:
197.032g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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