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179023-37-1 | 4-Piperidinecarboxylic acid, 3-oxo-, methyl ester
CAS No: 179023-37-1 Catalog No: AG0026PG MDL No:MFCD20668424
Product Description
Catalog Number:
AG0026PG
Chemical Name:
4-Piperidinecarboxylic acid, 3-oxo-, methyl ester
CAS Number:
179023-37-1
Molecular Formula:
C7H11NO3
Molecular Weight:
157.1671
MDL Number:
MFCD20668424
IUPAC Name:
methyl 3-oxopiperidine-4-carboxylate
InChI:
InChI=1S/C7H11NO3/c1-11-7(10)5-2-3-8-4-6(5)9/h5,8H,2-4H2,1H3
InChI Key:
YFKSAOBUUKYFON-UHFFFAOYSA-N
SMILES:
COC(=O)C1CCNCC1=O
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.074g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
157.169g/mol
Monoisotopic Mass:
157.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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