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88220-18-2 | Benzoic acid, 2-(naphtho[1,2-b]thien-2-ylmethyl)-
CAS No: 88220-18-2 Catalog No: AG004BB0 MDL No:
Product Description
Catalog Number:
AG004BB0
Chemical Name:
Benzoic acid, 2-(naphtho[1,2-b]thien-2-ylmethyl)-
CAS Number:
88220-18-2
Molecular Formula:
C20H14O2S
Molecular Weight:
318.3890
IUPAC Name:
2-(benzo[g][1]benzothiol-2-ylmethyl)benzoic acid
InChI:
InChI=1S/C20H14O2S/c21-20(22)18-8-4-2-6-14(18)11-16-12-15-10-9-13-5-1-3-7-17(13)19(15)23-16/h1-10,12H,11H2,(H,21,22)
InChI Key:
KADONVUZVCKGOW-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1Cc1cc2c(s1)c1ccccc1cc2
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.071g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
318.39g/mol
Monoisotopic Mass:
318.071g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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