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78238-12-7 | 3-Methoxy-5-nitrobenzoic acid
CAS No: 78238-12-7 Catalog No: AG005CH9 MDL No:MFCD01318045
Product Description
Catalog Number:
AG005CH9
Chemical Name:
3-Methoxy-5-nitrobenzoic acid
CAS Number:
78238-12-7
Molecular Formula:
C8H7NO5
Molecular Weight:
197.1449
MDL Number:
MFCD01318045
IUPAC Name:
3-methoxy-5-nitrobenzoic acid
InChI:
InChI=1S/C8H7NO5/c1-14-7-3-5(8(10)11)2-6(4-7)9(12)13/h2-4H,1H3,(H,10,11)
InChI Key:
QXIIPLXNJAJOMR-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1)C(=O)O)[N+](=O)[O-]
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:
2
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