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89745-61-9 | 1-Cyclooctene-1-carboxylic acid, 2-mercapto-, ethyl ester, (Z)-
CAS No: 89745-61-9 Catalog No: AG00411Q MDL No:
Product Description
Catalog Number:
AG00411Q
Chemical Name:
1-Cyclooctene-1-carboxylic acid, 2-mercapto-, ethyl ester, (Z)-
CAS Number:
89745-61-9
Molecular Formula:
C11H18O2S
Molecular Weight:
214.3244
IUPAC Name:
ethyl 2-sulfanylcyclooctene-1-carboxylate
InChI:
InChI=1S/C11H18O2S/c1-2-13-11(12)9-7-5-3-4-6-8-10(9)14/h14H,2-8H2,1H3
InChI Key:
NAVVMJHSUUJROW-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1=C(S)CCCCCC1
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.103g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.323g/mol
Monoisotopic Mass:
214.103g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
27.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.2
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