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1269755-65-8 | 3-Piperidinecarboxylic acid, 6,6-dimethyl-, methyl ester
CAS No: 1269755-65-8 Catalog No: AG000WHE MDL No:MFCD20669264
Product Description
Catalog Number:
AG000WHE
Chemical Name:
3-Piperidinecarboxylic acid, 6,6-dimethyl-, methyl ester
CAS Number:
1269755-65-8
Molecular Formula:
C9H17NO2
Molecular Weight:
171.2368
MDL Number:
MFCD20669264
IUPAC Name:
methyl 6,6-dimethylpiperidine-3-carboxylate
InChI:
InChI=1S/C9H17NO2/c1-9(2)5-4-7(6-10-9)8(11)12-3/h7,10H,4-6H2,1-3H3
InChI Key:
ZSZCHXGCKWYCSB-UHFFFAOYSA-N
SMILES:
COC(=O)C1CCC(NC1)(C)C
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.126g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
171.24g/mol
Monoisotopic Mass:
171.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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