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89176-40-9 | 2-Butenoic acid, 3-(1-piperidinyl)-, ethyl ester, hydrochloride
CAS No: 89176-40-9 Catalog No: AG003WED MDL No:
Product Description
Catalog Number:
AG003WED
Chemical Name:
2-Butenoic acid, 3-(1-piperidinyl)-, ethyl ester, hydrochloride
CAS Number:
89176-40-9
Molecular Formula:
C11H20ClNO2
Molecular Weight:
233.7350
IUPAC Name:
ethyl 3-piperidin-1-ylbut-2-enoate;hydrochloride
InChI:
InChI=1S/C11H19NO2.ClH/c1-3-14-11(13)9-10(2)12-7-5-4-6-8-12;/h9H,3-8H2,1-2H3;1H
InChI Key:
VHONMDAONIRZFF-UHFFFAOYSA-N
SMILES:
CCOC(=O)C=C(N1CCCCC1)C.Cl
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.118g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.736g/mol
Monoisotopic Mass:
233.118g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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