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141083-87-6 | 2-Piperidinecarboxylic acid, 1-(oxophenylacetyl)-, 2-propenyl ester, (S)- (9CI)
CAS No: 141083-87-6 Catalog No: AG001FV6 MDL No:
Product Description
Catalog Number:
AG001FV6
Chemical Name:
2-Piperidinecarboxylic acid, 1-(oxophenylacetyl)-, 2-propenyl ester, (S)- (9CI)
CAS Number:
141083-87-6
Molecular Formula:
C17H19NO4
Molecular Weight:
301.3371
IUPAC Name:
prop-2-enyl 1-(2-oxo-2-phenylacetyl)piperidine-2-carboxylate
InChI:
InChI=1S/C17H19NO4/c1-2-12-22-17(21)14-10-6-7-11-18(14)16(20)15(19)13-8-4-3-5-9-13/h2-5,8-9,14H,1,6-7,10-12H2
InChI Key:
KVMOSHWPQDVHQN-UHFFFAOYSA-N
SMILES:
C=CCOC(=O)[C@@H]1CCCCN1C(=O)C(=O)c1ccccc1
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.131g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.342g/mol
Monoisotopic Mass:
301.131g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
63.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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