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824425-15-2 | 2-Cyclopropene-1-carboxylic acid, 2,3-diphenyl-1-(2-thienyl)-
CAS No: 824425-15-2 Catalog No: AG004W71 MDL No:
Product Description
Catalog Number:
AG004W71
Chemical Name:
2-Cyclopropene-1-carboxylic acid, 2,3-diphenyl-1-(2-thienyl)-
CAS Number:
824425-15-2
Molecular Formula:
C20H14O2S
Molecular Weight:
318.3890
IUPAC Name:
2,3-diphenyl-1-thiophen-2-ylcycloprop-2-ene-1-carboxylic acid
InChI:
InChI=1S/C20H14O2S/c21-19(22)20(16-12-7-13-23-16)17(14-8-3-1-4-9-14)18(20)15-10-5-2-6-11-15/h1-13H,(H,21,22)
InChI Key:
GIYYZFQXJNZMAG-UHFFFAOYSA-N
SMILES:
OC(=O)C1(c2cccs2)C(=C1c1ccccc1)c1ccccc1
Properties
Complexity:
470
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:
4
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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