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89222-82-2 | 2-Propenal, 3-[(3-phenylpropyl)thio]-
CAS No: 89222-82-2 Catalog No: AG0043LK MDL No:
Product Description
Catalog Number:
AG0043LK
Chemical Name:
2-Propenal, 3-[(3-phenylpropyl)thio]-
CAS Number:
89222-82-2
Molecular Formula:
C12H14OS
Molecular Weight:
206.3040
IUPAC Name:
3-(3-phenylpropylsulfanyl)prop-2-enal
InChI:
InChI=1S/C12H14OS/c13-9-5-11-14-10-4-8-12-6-2-1-3-7-12/h1-3,5-7,9,11H,4,8,10H2
InChI Key:
MJRHUNHZLNLUMM-UHFFFAOYSA-N
SMILES:
O=CC=CSCCCc1ccccc1
Properties
Complexity:
171
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:
6
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.8
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