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Home > Nitro Compounds > 120075-47-0
120075-47-0 | Benzoic acid, 3-methoxy-6-nitro-2-(phenylmethoxy)-
CAS No: 120075-47-0 Catalog No: AG000Q8O MDL No:
Product Description
Catalog Number:
AG000Q8O
Chemical Name:
Benzoic acid, 3-methoxy-6-nitro-2-(phenylmethoxy)-
CAS Number:
120075-47-0
Molecular Formula:
C15H13NO6
Molecular Weight:
303.2668
IUPAC Name:
3-methoxy-6-nitro-2-phenylmethoxybenzoic acid
InChI:
InChI=1S/C15H13NO6/c1-21-12-8-7-11(16(19)20)13(15(17)18)14(12)22-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,17,18)
InChI Key:
YJEDEVDOIMDXQD-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1OCc1ccccc1)C(=O)O)[N+](=O)[O-]
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.074g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
303.27g/mol
Monoisotopic Mass:
303.074g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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