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Home > Nitro Compounds > 125229-14-3
125229-14-3 | Benzoic acid, 3-(methoxymethoxy)-4-methyl-5-nitro-, methyl ester
CAS No: 125229-14-3 Catalog No: AG000NDC MDL No:
Product Description
Catalog Number:
AG000NDC
Chemical Name:
Benzoic acid, 3-(methoxymethoxy)-4-methyl-5-nitro-, methyl ester
CAS Number:
125229-14-3
Molecular Formula:
C11H13NO6
Molecular Weight:
255.2240
IUPAC Name:
methyl 3-(methoxymethoxy)-4-methyl-5-nitrobenzoate
InChI:
InChI=1S/C11H13NO6/c1-7-9(12(14)15)4-8(11(13)17-3)5-10(7)18-6-16-2/h4-5H,6H2,1-3H3
InChI Key:
AUEXNRVJKFGTIH-UHFFFAOYSA-N
SMILES:
COCOc1cc(cc(c1C)[N+](=O)[O-])C(=O)OC
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.074g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.226g/mol
Monoisotopic Mass:
255.074g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
90.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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