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Home > Nitro Compounds > 201932-92-5
201932-92-5 | Benzoic acid, 3-(hydroxymethyl)-4-nitro-, methyl ester
CAS No: 201932-92-5 Catalog No: AG0027X6 MDL No:MFCD29762434
Product Description
Catalog Number:
AG0027X6
Chemical Name:
Benzoic acid, 3-(hydroxymethyl)-4-nitro-, methyl ester
CAS Number:
201932-92-5
Molecular Formula:
C9H9NO5
Molecular Weight:
211.1715
MDL Number:
MFCD29762434
IUPAC Name:
methyl 3-(hydroxymethyl)-4-nitrobenzoate
InChI:
InChI=1S/C9H9NO5/c1-15-9(12)6-2-3-8(10(13)14)7(4-6)5-11/h2-4,11H,5H2,1H3
InChI Key:
UZYJUGUGWPESHO-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)CO)[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:
0.7
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