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88220-21-7 | Benzoic acid, 2-(naphtho[2,1-b]thien-2-ylcarbonyl)-
CAS No: 88220-21-7 Catalog No: AG004DFA MDL No:
Product Description
Catalog Number:
AG004DFA
Chemical Name:
Benzoic acid, 2-(naphtho[2,1-b]thien-2-ylcarbonyl)-
CAS Number:
88220-21-7
Molecular Formula:
C20H12O3S
Molecular Weight:
332.3725
IUPAC Name:
2-(benzo[e][1]benzothiole-2-carbonyl)benzoic acid
InChI:
InChI=1S/C20H12O3S/c21-19(14-7-3-4-8-15(14)20(22)23)18-11-16-13-6-2-1-5-12(13)9-10-17(16)24-18/h1-11H,(H,22,23)
InChI Key:
XZCMRRGNLPOCRP-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1C(=O)c1sc2c(c1)c1ccccc1cc2
Properties
Complexity:
505
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.051g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
332.373g/mol
Monoisotopic Mass:
332.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
82.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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