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19971-57-4 | 5H-1-Benzothiopyran-8-carboxaldehyde, 6,7-dihydro-2,3-diphenyl-
CAS No: 19971-57-4 Catalog No: AG002CA8 MDL No:
Product Description
Catalog Number:
AG002CA8
Chemical Name:
5H-1-Benzothiopyran-8-carboxaldehyde, 6,7-dihydro-2,3-diphenyl-
CAS Number:
19971-57-4
Molecular Formula:
C22H18OS
Molecular Weight:
330.4427
IUPAC Name:
2,3-diphenyl-6,7-dihydro-5H-thiochromene-8-carbaldehyde
InChI:
InChI=1S/C22H18OS/c23-15-19-13-7-12-18-14-20(16-8-3-1-4-9-16)22(24-21(18)19)17-10-5-2-6-11-17/h1-6,8-11,14-15H,7,12-13H2
InChI Key:
CUHLVSRMSXTTSQ-UHFFFAOYSA-N
SMILES:
O=CC1=C2SC(=C(C=C2CCC1)c1ccccc1)c1ccccc1
Properties
Complexity:
583
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.108g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.445g/mol
Monoisotopic Mass:
330.108g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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