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150018-99-8 | 3-Piperidinecarbonitrile, 3-hydroxy-1-(phenylmethyl)-
CAS No: 150018-99-8 Catalog No: AG001M9F MDL No:MFCD11110454
Product Description
Catalog Number:
AG001M9F
Chemical Name:
3-Piperidinecarbonitrile, 3-hydroxy-1-(phenylmethyl)-
CAS Number:
150018-99-8
Molecular Formula:
C13H16N2O
Molecular Weight:
216.2789
MDL Number:
MFCD11110454
IUPAC Name:
1-benzyl-3-hydroxypiperidine-3-carbonitrile
InChI:
InChI=1S/C13H16N2O/c14-10-13(16)7-4-8-15(11-13)9-12-5-2-1-3-6-12/h1-3,5-6,16H,4,7-9,11H2
InChI Key:
ZGGPVFSWIRIZNF-UHFFFAOYSA-N
SMILES:
N#CC1(O)CCCN(C1)Cc1ccccc1
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.126g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.284g/mol
Monoisotopic Mass:
216.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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