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Home > Nitro Compounds > 19013-10-6
19013-10-6 | Benzoic acid, 4-hydroxy-3-nitro-, ethyl ester
CAS No: 19013-10-6 Catalog No: AG002ED1 MDL No:MFCD00016999
Product Description
Catalog Number:
AG002ED1
Chemical Name:
Benzoic acid, 4-hydroxy-3-nitro-, ethyl ester
CAS Number:
19013-10-6
Molecular Formula:
C9H9NO5
Molecular Weight:
211.1715
MDL Number:
MFCD00016999
IUPAC Name:
ethyl 4-hydroxy-3-nitrobenzoate
InChI:
InChI=1S/C9H9NO5/c1-2-15-9(12)6-3-4-8(11)7(5-6)10(13)14/h3-5,11H,2H2,1H3
InChI Key:
FBHJNBWUGONVNS-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(c(c1)[N+](=O)[O-])O
EC Number:
242-751-9
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:
2.7
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