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114326-01-1 | Acetaldehyde, (1-methyl-2-piperidinylidene)-, (E)- (9CI)
CAS No: 114326-01-1 Catalog No: AG000B3R MDL No:
Product Description
Catalog Number:
AG000B3R
Chemical Name:
Acetaldehyde, (1-methyl-2-piperidinylidene)-, (E)- (9CI)
CAS Number:
114326-01-1
Molecular Formula:
C8H13NO
Molecular Weight:
139.1949
IUPAC Name:
2-(1-methylpiperidin-2-ylidene)acetaldehyde
InChI:
InChI=1S/C8H13NO/c1-9-6-3-2-4-8(9)5-7-10/h5,7H,2-4,6H2,1H3
InChI Key:
LVUWKDZYNUHSKM-UHFFFAOYSA-N
SMILES:
O=C/C=C/1\CCCCN1C
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.1g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
139.198g/mol
Monoisotopic Mass:
139.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.8
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