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89010-56-0 | Benzoic acid, 4-[(1-benzoyl-2-oxopropyl)azo]-
CAS No: 89010-56-0 Catalog No: AG0042V3 MDL No:
Product Description
Catalog Number:
AG0042V3
Chemical Name:
Benzoic acid, 4-[(1-benzoyl-2-oxopropyl)azo]-
CAS Number:
89010-56-0
Molecular Formula:
C17H14N2O4
Molecular Weight:
310.3041
IUPAC Name:
4-[(1,3-dioxo-1-phenylbutan-2-yl)diazenyl]benzoic acid
InChI:
InChI=1S/C17H14N2O4/c1-11(20)15(16(21)12-5-3-2-4-6-12)19-18-14-9-7-13(8-10-14)17(22)23/h2-10,15H,1H3,(H,22,23)
InChI Key:
BHKVWOLRQYOXMM-UHFFFAOYSA-N
SMILES:
CC(=O)C(C(=O)c1ccccc1)N=Nc1ccc(cc1)C(=O)O
Properties
Complexity:
475
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.095g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
310.309g/mol
Monoisotopic Mass:
310.095g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
96.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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