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Home > Nitro Compounds > 861315-61-9
861315-61-9 | 4-Hydroxy-3-methyl-5-nitrobenzoic acid
CAS No: 861315-61-9 Catalog No: AG00IDX7 MDL No:MFCD27930252
Product Description
Catalog Number:
AG00IDX7
Chemical Name:
4-Hydroxy-3-methyl-5-nitrobenzoic acid
CAS Number:
861315-61-9
Molecular Formula:
C8H7NO5
Molecular Weight:
197.1449
MDL Number:
MFCD27930252
IUPAC Name:
4-hydroxy-3-methyl-5-nitrobenzoic acid
InChI:
InChI=1S/C8H7NO5/c1-4-2-5(8(11)12)3-6(7(4)10)9(13)14/h2-3,10H,1H3,(H,11,12)
InChI Key:
AUQMLPTXBVNUBP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(cc(c1O)C)C(=O)O
Properties
Complexity:
249
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:
2
Isotope Atom Count:
0
Molecular Weight:
197.146g/mol
Monoisotopic Mass:
197.032g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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