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1268522-52-6 | 4-Piperidineacetic acid, 1-(2,2-dimethyl-1-oxopropyl)-
CAS No: 1268522-52-6 Catalog No: AG000TD1 MDL No:
Product Description
Catalog Number:
AG000TD1
Chemical Name:
4-Piperidineacetic acid, 1-(2,2-dimethyl-1-oxopropyl)-
CAS Number:
1268522-52-6
Molecular Formula:
C12H21NO3
Molecular Weight:
227.3000
IUPAC Name:
2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]acetic acid
InChI:
InChI=1S/C12H21NO3/c1-12(2,3)11(16)13-6-4-9(5-7-13)8-10(14)15/h9H,4-8H2,1-3H3,(H,14,15)
InChI Key:
UNRUYLJTYGFFIT-UHFFFAOYSA-N
SMILES:
OC(=O)CC1CCN(CC1)C(=O)C(C)(C)C
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.152g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.304g/mol
Monoisotopic Mass:
227.152g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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