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Home > Nitro Compounds > 201933-03-1
201933-03-1 | Benzoic acid, 3-[(acetyloxy)methyl]-4-nitro-, methyl ester
CAS No: 201933-03-1 Catalog No: AG0027X5 MDL No:MFCD30489201
Product Description
Catalog Number:
AG0027X5
Chemical Name:
Benzoic acid, 3-[(acetyloxy)methyl]-4-nitro-, methyl ester
CAS Number:
201933-03-1
Molecular Formula:
C11H11NO6
Molecular Weight:
253.2081
MDL Number:
MFCD30489201
IUPAC Name:
methyl 3-(acetyloxymethyl)-4-nitrobenzoate
InChI:
InChI=1S/C11H11NO6/c1-7(13)18-6-9-5-8(11(14)17-2)3-4-10(9)12(15)16/h3-5H,6H2,1-2H3
InChI Key:
DTOYHEZLUYOUOE-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)COC(=O)C)[N+](=O)[O-]
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.059g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.21g/mol
Monoisotopic Mass:
253.059g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
98.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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