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89222-83-3 | 2-Propenal, 3-[(2-furanylmethyl)thio]-
CAS No: 89222-83-3 Catalog No: AG0043X8 MDL No:
Product Description
Catalog Number:
AG0043X8
Chemical Name:
2-Propenal, 3-[(2-furanylmethyl)thio]-
CAS Number:
89222-83-3
Molecular Formula:
C8H8O2S
Molecular Weight:
168.2129
IUPAC Name:
3-(furan-2-ylmethylsulfanyl)prop-2-enal
InChI:
InChI=1S/C8H8O2S/c9-4-2-6-11-7-8-3-1-5-10-8/h1-6H,7H2
InChI Key:
NBJVMIDSCFHBHX-UHFFFAOYSA-N
SMILES:
O=CC=CSCc1ccco1
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.025g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.21g/mol
Monoisotopic Mass:
168.025g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.1
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