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885461-62-1 | 2-[(4-methylphenyl)sulfanyl]cyclohex-1-ene-1-carbaldehyde
CAS No: 885461-62-1 Catalog No: AG019O1K MDL No:MFCD06660816
Product Description
Catalog Number:
AG019O1K
Chemical Name:
2-[(4-methylphenyl)sulfanyl]cyclohex-1-ene-1-carbaldehyde
CAS Number:
885461-62-1
Molecular Formula:
C14H16OS
Molecular Weight:
232.3412
MDL Number:
MFCD06660816
IUPAC Name:
2-(4-methylphenyl)sulfanylcyclohexene-1-carbaldehyde
InChI:
InChI=1S/C14H16OS/c1-11-6-8-13(9-7-11)16-14-5-3-2-4-12(14)10-15/h6-10H,2-5H2,1H3
InChI Key:
URQYWSYKPFLFBE-UHFFFAOYSA-N
SMILES:
O=CC1=C(CCCC1)Sc1ccc(cc1)C
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.092g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.341g/mol
Monoisotopic Mass:
232.092g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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