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890098-02-9 | ETHYL 6-(3-THIENYL)HEXANOATE
CAS No: 890098-02-9 Catalog No: AG0043NM MDL No:
Product Description
Catalog Number:
AG0043NM
Chemical Name:
ETHYL 6-(3-THIENYL)HEXANOATE
CAS Number:
890098-02-9
Molecular Formula:
C12H18O2S
Molecular Weight:
226.3351
IUPAC Name:
ethyl 6-thiophen-3-ylhexanoate
InChI:
InChI=1S/C12H18O2S/c1-2-14-12(13)7-5-3-4-6-11-8-9-15-10-11/h8-10H,2-7H2,1H3
InChI Key:
IVEGEKHCZZGZOH-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCCCc1ccsc1
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.103g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.334g/mol
Monoisotopic Mass:
226.103g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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