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75807-94-2 | Acetaldehyde, (3-phenyl-1H-2-benzothiopyran-1-ylidene)-
CAS No: 75807-94-2 Catalog No: AG008P8G MDL No:
Product Description
Catalog Number:
AG008P8G
Chemical Name:
Acetaldehyde, (3-phenyl-1H-2-benzothiopyran-1-ylidene)-
CAS Number:
75807-94-2
Molecular Formula:
C17H12OS
Molecular Weight:
264.3416
IUPAC Name:
2-(3-phenylisothiochromen-1-ylidene)acetaldehyde
InChI:
InChI=1S/C17H12OS/c18-11-10-16-15-9-5-4-8-14(15)12-17(19-16)13-6-2-1-3-7-13/h1-12H
InChI Key:
ZBAIWBCCAGRORM-UHFFFAOYSA-N
SMILES:
O=CC=C1SC(=Cc2c1cccc2)c1ccccc1
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.061g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.342g/mol
Monoisotopic Mass:
264.061g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.9
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