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Home > Nitro Compounds > 669002-29-3
669002-29-3 | 4-(4-Methoxyphenyl)-2-nitrobenzoic acid
CAS No: 669002-29-3 Catalog No: AG00FGXR MDL No:MFCD18319531
Product Description
Catalog Number:
AG00FGXR
Chemical Name:
4-(4-Methoxyphenyl)-2-nitrobenzoic acid
CAS Number:
669002-29-3
Molecular Formula:
C14H11NO5
Molecular Weight:
273.2408
MDL Number:
MFCD18319531
IUPAC Name:
4-(4-methoxyphenyl)-2-nitrobenzoic acid
InChI:
InChI=1S/C14H11NO5/c1-20-11-5-2-9(3-6-11)10-4-7-12(14(16)17)13(8-10)15(18)19/h2-8H,1H3,(H,16,17)
InChI Key:
XTHREIALOWGMPJ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1ccc(c(c1)[N+](=O)[O-])C(=O)O
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.064g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.244g/mol
Monoisotopic Mass:
273.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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