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88462-45-7 | 2-Propenal, 3-(pentylthio)-, (E)-
CAS No: 88462-45-7 Catalog No: AG004F94 MDL No:
Product Description
Catalog Number:
AG004F94
Chemical Name:
2-Propenal, 3-(pentylthio)-, (E)-
CAS Number:
88462-45-7
Molecular Formula:
C8H14OS
Molecular Weight:
158.2612
IUPAC Name:
3-pentylsulfanylprop-2-enal
InChI:
InChI=1S/C8H14OS/c1-2-3-4-7-10-8-5-6-9/h5-6,8H,2-4,7H2,1H3
InChI Key:
QSNQHHZKJHBTEP-UHFFFAOYSA-N
SMILES:
CCCCCS/C=C/C=O
Properties
Complexity:
99.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.077g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.259g/mol
Monoisotopic Mass:
158.077g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.3
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