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88912-07-6 | Benzoic acid, 4-[[4-(octyloxy)phenyl]azo]-
CAS No: 88912-07-6 Catalog No: AG0048RD MDL No:
Product Description
Catalog Number:
AG0048RD
Chemical Name:
Benzoic acid, 4-[[4-(octyloxy)phenyl]azo]-
CAS Number:
88912-07-6
Molecular Formula:
C21H26N2O3
Molecular Weight:
354.4427
IUPAC Name:
4-[(4-octoxyphenyl)diazenyl]benzoic acid
InChI:
InChI=1S/C21H26N2O3/c1-2-3-4-5-6-7-16-26-20-14-12-19(13-15-20)23-22-18-10-8-17(9-11-18)21(24)25/h8-15H,2-7,16H2,1H3,(H,24,25)
InChI Key:
QQSTVHSDOXZXLW-UHFFFAOYSA-N
SMILES:
CCCCCCCCOc1ccc(cc1)N=Nc1ccc(cc1)C(=O)O
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.194g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
354.45g/mol
Monoisotopic Mass:
354.194g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
71.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
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