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113789-98-3 | Acetic acid, 2-(2-piperidinylidene)-, methyl ester
CAS No: 113789-98-3 Catalog No: AG0009P2 MDL No:
Product Description
Catalog Number:
AG0009P2
Chemical Name:
Acetic acid, 2-(2-piperidinylidene)-, methyl ester
CAS Number:
113789-98-3
Molecular Formula:
C8H13NO2
Molecular Weight:
155.1943
IUPAC Name:
methyl 2-piperidin-2-ylideneacetate
InChI:
InChI=1S/C8H13NO2/c1-11-8(10)6-7-4-2-3-5-9-7/h6,9H,2-5H2,1H3
InChI Key:
MVQWICMCUQFVFB-UHFFFAOYSA-N
SMILES:
COC(=O)C=C1CCCCN1
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.095g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
155.197g/mol
Monoisotopic Mass:
155.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.1
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