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83476-95-3 | Benzaldehyde, 2-[(3-methyl-2-butenyl)thio]-
CAS No: 83476-95-3 Catalog No: AG004VB6 MDL No:
Product Description
Catalog Number:
AG004VB6
Chemical Name:
Benzaldehyde, 2-[(3-methyl-2-butenyl)thio]-
CAS Number:
83476-95-3
Molecular Formula:
C12H14OS
Molecular Weight:
206.3040
IUPAC Name:
2-(3-methylbut-2-enylsulfanyl)benzaldehyde
InChI:
InChI=1S/C12H14OS/c1-10(2)7-8-14-12-6-4-3-5-11(12)9-13/h3-7,9H,8H2,1-2H3
InChI Key:
KIALSRQEAPZLNS-UHFFFAOYSA-N
SMILES:
O=Cc1ccccc1SCC=C(C)C
Properties
Complexity:
206
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:
4
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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