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Home > Aldehydes > 165671-32-9
165671-32-9 | 2H-1-Benzothiopyran-6-carboxaldehyde, 3,4-dihydro-4,4-dimethyl-
CAS No: 165671-32-9 Catalog No: AG001WAG MDL No:
Product Description
Catalog Number:
AG001WAG
Chemical Name:
2H-1-Benzothiopyran-6-carboxaldehyde, 3,4-dihydro-4,4-dimethyl-
CAS Number:
165671-32-9
Molecular Formula:
C12H14OS
Molecular Weight:
206.3040
IUPAC Name:
4,4-dimethyl-2,3-dihydrothiochromene-6-carbaldehyde
InChI:
InChI=1S/C12H14OS/c1-12(2)5-6-14-11-4-3-9(8-13)7-10(11)12/h3-4,7-8H,5-6H2,1-2H3
InChI Key:
LKARRJPVEMXOQP-UHFFFAOYSA-N
SMILES:
O=Cc1ccc2c(c1)C(C)(C)CCS2
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.077g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.303g/mol
Monoisotopic Mass:
206.077g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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