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1262988-78-2 | 4-Piperidinecarboxylic acid, 4-(acetyloxy)-1-(phenylmethyl)-
CAS No: 1262988-78-2 Catalog No: AG000SHC MDL No:
Product Description
Catalog Number:
AG000SHC
Chemical Name:
4-Piperidinecarboxylic acid, 4-(acetyloxy)-1-(phenylmethyl)-
CAS Number:
1262988-78-2
Molecular Formula:
C15H19NO4
Molecular Weight:
277.3157
IUPAC Name:
4-acetyloxy-1-benzylpiperidine-4-carboxylic acid
InChI:
InChI=1S/C15H19NO4/c1-12(17)20-15(14(18)19)7-9-16(10-8-15)11-13-5-3-2-4-6-13/h2-6H,7-11H2,1H3,(H,18,19)
InChI Key:
QENYHVSLURAURH-UHFFFAOYSA-N
SMILES:
OC(=O)C1(CCN(CC1)Cc1ccccc1)OC(=O)C
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.131g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
277.32g/mol
Monoisotopic Mass:
277.131g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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