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89942-77-8 | Methyl 3-hydroxy-2-nitrobenzoate
CAS No: 89942-77-8 Catalog No: AG00356Y MDL No:MFCD09951956
Product Description
Catalog Number:
AG00356Y
Chemical Name:
Methyl 3-hydroxy-2-nitrobenzoate
CAS Number:
89942-77-8
Molecular Formula:
C8H7NO5
Molecular Weight:
197.1449
MDL Number:
MFCD09951956
IUPAC Name:
methyl 3-hydroxy-2-nitrobenzoate
InChI:
InChI=1S/C8H7NO5/c1-14-8(11)5-3-2-4-6(10)7(5)9(12)13/h2-4,10H,1H3
InChI Key:
FHCNMPYMCKHBTK-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(cccc1O)C(=O)OC
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:
1.9
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