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22621-41-6 | Methyl 2-hydroxy-3-nitrobenzoate
CAS No: 22621-41-6 Catalog No: AG003RO2 MDL No:MFCD00272263
Product Description
Catalog Number:
AG003RO2
Chemical Name:
Methyl 2-hydroxy-3-nitrobenzoate
CAS Number:
22621-41-6
Molecular Formula:
C8H7NO5
Molecular Weight:
197.1449
MDL Number:
MFCD00272263
IUPAC Name:
methyl 2-hydroxy-3-nitrobenzoate
InChI:
InChI=1S/C8H7NO5/c1-14-8(11)5-3-2-4-6(7(5)10)9(12)13/h2-4,10H,1H3
InChI Key:
NIBVYEHAFBEVFI-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc(c1O)[N+](=O)[O-]
EC Number:
923-922-3
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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