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247259-31-0 | 3-Piperidineacetic acid, methyl ester, hydrochloride (1:1)
CAS No: 247259-31-0 Catalog No: AG002P8H MDL No:MFCD09955430
Product Description
Catalog Number:
AG002P8H
Chemical Name:
3-Piperidineacetic acid, methyl ester, hydrochloride (1:1)
CAS Number:
247259-31-0
Molecular Formula:
C8H16ClNO2
Molecular Weight:
193.6711
MDL Number:
MFCD09955430
IUPAC Name:
methyl 2-piperidin-3-ylacetate;hydrochloride
InChI:
InChI=1S/C8H15NO2.ClH/c1-11-8(10)5-7-3-2-4-9-6-7;/h7,9H,2-6H2,1H3;1H
InChI Key:
BZRVXFSQPBNUIE-UHFFFAOYSA-N
SMILES:
COC(=O)CC1CCCNC1.Cl
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.087g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
193.671g/mol
Monoisotopic Mass:
193.087g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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