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88973-75-5 | 2,4-Hexadienoic acid, 2-(ethylthio)ethyl ester, (E,E)-
CAS No: 88973-75-5 Catalog No: AG0046UQ MDL No:
Product Description
Catalog Number:
AG0046UQ
Chemical Name:
2,4-Hexadienoic acid, 2-(ethylthio)ethyl ester, (E,E)-
CAS Number:
88973-75-5
Molecular Formula:
C10H16O2S
Molecular Weight:
200.2978
IUPAC Name:
2-ethylsulfanylethyl hexa-2,4-dienoate
InChI:
InChI=1S/C10H16O2S/c1-3-5-6-7-10(11)12-8-9-13-4-2/h3,5-7H,4,8-9H2,1-2H3
InChI Key:
IFIHTCZVBOKEPU-UHFFFAOYSA-N
SMILES:
CCSCCOC(=O)/C=C/C=C/C
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.087g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.296g/mol
Monoisotopic Mass:
200.087g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
2.6
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