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113455-70-2 | 4-Piperidineacetic acid, 5-ethyl-2-oxo-
CAS No: 113455-70-2 Catalog No: AG0008NI MDL No:
Product Description
Catalog Number:
AG0008NI
Chemical Name:
4-Piperidineacetic acid, 5-ethyl-2-oxo-
CAS Number:
113455-70-2
Molecular Formula:
C9H15NO3
Molecular Weight:
185.2203
IUPAC Name:
2-(5-ethyl-2-oxopiperidin-4-yl)acetic acid
InChI:
InChI=1S/C9H15NO3/c1-2-6-5-10-8(11)3-7(6)4-9(12)13/h6-7H,2-5H2,1H3,(H,10,11)(H,12,13)
InChI Key:
YFMVBEJQEREOPI-UHFFFAOYSA-N
SMILES:
CCC1CNC(=O)CC1CC(=O)O
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.105g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
185.223g/mol
Monoisotopic Mass:
185.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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