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89745-62-0 | 1-Cyclononene-1-carboxylic acid, 2-mercapto-, ethyl ester, (Z)-
CAS No: 89745-62-0 Catalog No: AG00411P MDL No:
Product Description
Catalog Number:
AG00411P
Chemical Name:
1-Cyclononene-1-carboxylic acid, 2-mercapto-, ethyl ester, (Z)-
CAS Number:
89745-62-0
Molecular Formula:
C12H20O2S
Molecular Weight:
228.3510
IUPAC Name:
ethyl 2-sulfanylcyclononene-1-carboxylate
InChI:
InChI=1S/C12H20O2S/c1-2-14-12(13)10-8-6-4-3-5-7-9-11(10)15/h15H,2-9H2,1H3
InChI Key:
RIRYIUZXSAKCKJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1=C(S)CCCCCCC1
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.118g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.35g/mol
Monoisotopic Mass:
228.118g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
27.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.7
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