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20734-30-9 | 4-Piperidinecarbonitrile, 4-hydroxy-1-methyl-
CAS No: 20734-30-9 Catalog No: AG002IZZ MDL No:MFCD00480893
Product Description
Catalog Number:
AG002IZZ
Chemical Name:
4-Piperidinecarbonitrile, 4-hydroxy-1-methyl-
CAS Number:
20734-30-9
Molecular Formula:
C7H12N2O
Molecular Weight:
140.1830
MDL Number:
MFCD00480893
IUPAC Name:
4-hydroxy-1-methylpiperidine-4-carbonitrile
InChI:
InChI=1S/C7H12N2O/c1-9-4-2-7(10,6-8)3-5-9/h10H,2-5H2,1H3
InChI Key:
JXUFHVUPZXLNGM-UHFFFAOYSA-N
SMILES:
CN1CCC(CC1)(O)C#N
NSC Number:
139648
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.095g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
140.186g/mol
Monoisotopic Mass:
140.095g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
47.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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