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Home > Nitro Compounds > 1261504-50-0
1261504-50-0 | Benzoic acid, 2-hydroxy-6-nitro-, methyl ester
CAS No: 1261504-50-0 Catalog No: AG000RTF MDL No:MFCD00017565
Product Description
Catalog Number:
AG000RTF
Chemical Name:
Benzoic acid, 2-hydroxy-6-nitro-, methyl ester
CAS Number:
1261504-50-0
Molecular Formula:
C8H7NO5
Molecular Weight:
197.1449
MDL Number:
MFCD00017565
IUPAC Name:
methyl 2-hydroxy-6-nitrobenzoate
InChI:
InChI=1S/C8H7NO5/c1-14-8(11)7-5(9(12)13)3-2-4-6(7)10/h2-4,10H,1H3
InChI Key:
VGRACNKLIBCDHG-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(O)cccc1[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:
1.8
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