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51000-52-3 | Neodecanoic acid, ethenyl ester
CAS No: 51000-52-3 Catalog No: AG0025E2 MDL No:
Product Description
Catalog Number:
AG0025E2
Chemical Name:
Neodecanoic acid, ethenyl ester
CAS Number:
51000-52-3
Molecular Formula:
C12H22O2
Molecular Weight:
198.3019
IUPAC Name:
ethenyl 7,7-dimethyloctanoate
InChI:
InChI=1S/C12H22O2/c1-5-14-11(13)9-7-6-8-10-12(2,3)4/h5H,1,6-10H2,2-4H3
InChI Key:
TVFJAZCVMOXQRK-UHFFFAOYSA-N
SMILES:
C=COC(=O)CCCCCC(C)(C)C
EC Number:
256-905-8
UN Number:
3082
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.162g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.306g/mol
Monoisotopic Mass:
198.162g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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