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Home > Nitro Compounds > 1261581-86-5
1261581-86-5 | Benzoic acid, 3-hydroxy-5-nitro-, ethyl ester
CAS No: 1261581-86-5 Catalog No: AG000RUL MDL No:
Product Description
Catalog Number:
AG000RUL
Chemical Name:
Benzoic acid, 3-hydroxy-5-nitro-, ethyl ester
CAS Number:
1261581-86-5
Molecular Formula:
C9H9NO5
Molecular Weight:
211.1715
IUPAC Name:
ethyl 3-hydroxy-5-nitrobenzoate
InChI:
InChI=1S/C9H9NO5/c1-2-15-9(12)6-3-7(10(13)14)5-8(11)4-6/h3-5,11H,2H2,1H3
InChI Key:
IPFWAPVWVAMRQW-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(O)cc(c1)[N+](=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:
211.048g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.173g/mol
Monoisotopic Mass:
211.048g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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