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88220-29-5 | Benzoic acid, 2-(naphtho[2,3-b]thien-2-ylcarbonyl)-
CAS No: 88220-29-5 Catalog No: AG004BOU MDL No:
Product Description
Catalog Number:
AG004BOU
Chemical Name:
Benzoic acid, 2-(naphtho[2,3-b]thien-2-ylcarbonyl)-
CAS Number:
88220-29-5
Molecular Formula:
C20H12O3S
Molecular Weight:
332.3725
IUPAC Name:
2-(benzo[f][1]benzothiole-2-carbonyl)benzoic acid
InChI:
InChI=1S/C20H12O3S/c21-19(15-7-3-4-8-16(15)20(22)23)18-11-14-9-12-5-1-2-6-13(12)10-17(14)24-18/h1-11H,(H,22,23)
InChI Key:
ZHWUVPRVJCKRKZ-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1C(=O)O)c1cc2c(s1)cc1c(c2)cccc1
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:
5.1
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