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138529-35-8 | Benzoic acid, 4-[2-[4-(heptyloxy)phenyl]diazenyl]-
CAS No: 138529-35-8 Catalog No: AG0019EC MDL No:
Product Description
Catalog Number:
AG0019EC
Chemical Name:
Benzoic acid, 4-[2-[4-(heptyloxy)phenyl]diazenyl]-
CAS Number:
138529-35-8
Molecular Formula:
C20H24N2O3
Molecular Weight:
340.4162
IUPAC Name:
4-[(4-heptoxyphenyl)diazenyl]benzoic acid
InChI:
InChI=1S/C20H24N2O3/c1-2-3-4-5-6-15-25-19-13-11-18(12-14-19)22-21-17-9-7-16(8-10-17)20(23)24/h7-14H,2-6,15H2,1H3,(H,23,24)
InChI Key:
JCMOMYZDZFROOS-UHFFFAOYSA-N
SMILES:
CCCCCCCOc1ccc(cc1)N=Nc1ccc(cc1)C(=O)O
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.179g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
340.423g/mol
Monoisotopic Mass:
340.179g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
71.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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