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6952-94-9 | 4-Piperidinecarboxaldehyde,4-phenyl-
CAS No: 6952-94-9 Catalog No: AG005KWL MDL No:
Product Description
Catalog Number:
AG005KWL
Chemical Name:
4-Piperidinecarboxaldehyde,4-phenyl-
CAS Number:
6952-94-9
Molecular Formula:
C12H15NO
Molecular Weight:
189.2536
IUPAC Name:
4-phenylpiperidine-4-carbaldehyde
InChI:
InChI=1S/C12H15NO/c14-10-12(6-8-13-9-7-12)11-4-2-1-3-5-11/h1-5,10,13H,6-9H2
InChI Key:
XCENPWBBAXQVCG-UHFFFAOYSA-N
SMILES:
O=CC1(CCNCC1)c1ccccc1
EC Number:
230-133-1
UNII:
B1Q6HX2F69
NSC Number:
70851
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.115g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.258g/mol
Monoisotopic Mass:
189.115g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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