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113952-19-5 | 4-Hexenoic acid, 3,3-dimethyl-6-oxo-6-(1-piperidinyl)-, ethyl ester
CAS No: 113952-19-5 Catalog No: AG000A53 MDL No:
Product Description
Catalog Number:
AG000A53
Chemical Name:
4-Hexenoic acid, 3,3-dimethyl-6-oxo-6-(1-piperidinyl)-, ethyl ester
CAS Number:
113952-19-5
Molecular Formula:
C15H25NO3
Molecular Weight:
267.3639
IUPAC Name:
ethyl 3,3-dimethyl-6-oxo-6-piperidin-1-ylhex-4-enoate
InChI:
InChI=1S/C15H25NO3/c1-4-19-14(18)12-15(2,3)9-8-13(17)16-10-6-5-7-11-16/h8-9H,4-7,10-12H2,1-3H3
InChI Key:
QAHXXOIJHWGZKI-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(C=CC(=O)N1CCCCC1)(C)C
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.183g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.369g/mol
Monoisotopic Mass:
267.183g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.4
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