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2637-75-4 | 3-Piperidinecarboxylic acid, 1-acetyl-, ethyl ester
CAS No: 2637-75-4 Catalog No: AG002SWQ MDL No:MFCD02862111
Product Description
Catalog Number:
AG002SWQ
Chemical Name:
3-Piperidinecarboxylic acid, 1-acetyl-, ethyl ester
CAS Number:
2637-75-4
Molecular Formula:
C10H17NO3
Molecular Weight:
199.2469
MDL Number:
MFCD02862111
IUPAC Name:
ethyl 1-acetylpiperidine-3-carboxylate
InChI:
InChI=1S/C10H17NO3/c1-3-14-10(13)9-5-4-6-11(7-9)8(2)12/h9H,3-7H2,1-2H3
InChI Key:
QPSYWOLGKVKKHD-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CCCN(C1)C(=O)C
NSC Number:
68480
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.121g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.25g/mol
Monoisotopic Mass:
199.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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