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Home > Nitro Compounds > 123330-86-9
123330-86-9 | Benzoic acid, 3-hydroxy-4-nitro-, 1,1-dimethylethyl ester
CAS No: 123330-86-9 Catalog No: AG000KD0 MDL No:
Product Description
Catalog Number:
AG000KD0
Chemical Name:
Benzoic acid, 3-hydroxy-4-nitro-, 1,1-dimethylethyl ester
CAS Number:
123330-86-9
Molecular Formula:
C11H13NO5
Molecular Weight:
239.2246
IUPAC Name:
tert-butyl 3-hydroxy-4-nitrobenzoate
InChI:
InChI=1S/C11H13NO5/c1-11(2,3)17-10(14)7-4-5-8(12(15)16)9(13)6-7/h4-6,13H,1-3H3
InChI Key:
NFALFMMBSPRIRF-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(c(c1)O)[N+](=O)[O-])OC(C)(C)C
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.079g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.227g/mol
Monoisotopic Mass:
239.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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