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16780-05-5 | 3-Piperidineacetic acid, ethyl ester, hydrochloride (1:1)
CAS No: 16780-05-5 Catalog No: AG001XM6 MDL No:MFCD08059314
Product Description
Catalog Number:
AG001XM6
Chemical Name:
3-Piperidineacetic acid, ethyl ester, hydrochloride (1:1)
CAS Number:
16780-05-5
Molecular Formula:
C9H18ClNO2
Molecular Weight:
207.6977
MDL Number:
MFCD08059314
IUPAC Name:
ethyl 2-piperidin-3-ylacetate;hydrochloride
InChI:
InChI=1S/C9H17NO2.ClH/c1-2-12-9(11)6-8-4-3-5-10-7-8;/h8,10H,2-7H2,1H3;1H
InChI Key:
NUFQPPPCFKZWRT-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC1CCCNC1.Cl
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.103g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
207.698g/mol
Monoisotopic Mass:
207.103g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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