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192519-98-5 | 2-Propenal, 3-[(4-methoxyphenyl)thio]-, (2E)-
CAS No: 192519-98-5 Catalog No: AG002G2A MDL No:
Product Description
Catalog Number:
AG002G2A
Chemical Name:
2-Propenal, 3-[(4-methoxyphenyl)thio]-, (2E)-
CAS Number:
192519-98-5
Molecular Formula:
C10H10O2S
Molecular Weight:
194.2502
IUPAC Name:
3-(4-methoxyphenyl)sulfanylprop-2-enal
InChI:
InChI=1S/C10H10O2S/c1-12-9-3-5-10(6-4-9)13-8-2-7-11/h2-8H,1H3
InChI Key:
UAHXHRMMZXYNGA-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)S/C=C/C=O
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.04g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.248g/mol
Monoisotopic Mass:
194.04g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2
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