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26190-11-4 | 1,2-Benzenedicarboxylic acid, 4-(4-nitrophenoxy)-
CAS No: 26190-11-4 Catalog No: AG002S5B MDL No:MFCD00408997
Product Description
Catalog Number:
AG002S5B
Chemical Name:
1,2-Benzenedicarboxylic acid, 4-(4-nitrophenoxy)-
CAS Number:
26190-11-4
Molecular Formula:
C14H9NO7
Molecular Weight:
303.2238
MDL Number:
MFCD00408997
IUPAC Name:
4-(4-nitrophenoxy)phthalic acid
InChI:
InChI=1S/C14H9NO7/c16-13(17)11-6-5-10(7-12(11)14(18)19)22-9-3-1-8(2-4-9)15(20)21/h1-7H,(H,16,17)(H,18,19)
InChI Key:
USFYQEDSCKKGPH-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(ccc1C(=O)O)Oc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.038g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
303.226g/mol
Monoisotopic Mass:
303.038g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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