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Home > Nitro Compounds > 2888-09-7
2888-09-7 | Benzoic acid, 2-hydroxy-5-methoxy-3-nitro-, methyl ester
CAS No: 2888-09-7 Catalog No: AG002WX5 MDL No:MFCD16140302
Product Description
Catalog Number:
AG002WX5
Chemical Name:
Benzoic acid, 2-hydroxy-5-methoxy-3-nitro-, methyl ester
CAS Number:
2888-09-7
Molecular Formula:
C9H9NO6
Molecular Weight:
227.1709
MDL Number:
MFCD16140302
IUPAC Name:
methyl 2-hydroxy-5-methoxy-3-nitrobenzoate
InChI:
InChI=1S/C9H9NO6/c1-15-5-3-6(9(12)16-2)8(11)7(4-5)10(13)14/h3-4,11H,1-2H3
InChI Key:
KMYXCRZYBSQHLT-UHFFFAOYSA-N
SMILES:
COc1cc(C(=O)OC)c(c(c1)[N+](=O)[O-])O
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.043g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.172g/mol
Monoisotopic Mass:
227.043g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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