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7032-12-4 | 1-(1,4,5,6-tetrahydropyridin-3-yl)ethan-1-one
CAS No: 7032-12-4 Catalog No: AG019KKK MDL No:MFCD01313392
Product Description
Catalog Number:
AG019KKK
Chemical Name:
1-(1,4,5,6-tetrahydropyridin-3-yl)ethan-1-one
CAS Number:
7032-12-4
Molecular Formula:
C7H11NO
Molecular Weight:
125.1683
MDL Number:
MFCD01313392
IUPAC Name:
1-(1,2,3,4-tetrahydropyridin-5-yl)ethanone
InChI:
InChI=1S/C7H11NO/c1-6(9)7-3-2-4-8-5-7/h5,8H,2-4H2,1H3
InChI Key:
OTARDEIUMYGPIA-UHFFFAOYSA-N
SMILES:
CC(=O)C1=CNCCC1
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
125.084g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
125.171g/mol
Monoisotopic Mass:
125.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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