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68097-75-6 | Phenol, 2-methyl-4-(1-piperidinylmethyl)-
CAS No: 68097-75-6 Catalog No: AG006FZN MDL No:
Product Description
Catalog Number:
AG006FZN
Chemical Name:
Phenol, 2-methyl-4-(1-piperidinylmethyl)-
CAS Number:
68097-75-6
Molecular Formula:
C13H19NO
Molecular Weight:
205.2961
IUPAC Name:
2-methyl-4-(piperidin-1-ylmethyl)phenol
InChI:
InChI=1S/C13H19NO/c1-11-9-12(5-6-13(11)15)10-14-7-3-2-4-8-14/h5-6,9,15H,2-4,7-8,10H2,1H3
InChI Key:
JBHJMOQKNKXNRR-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1C)CN1CCCCC1
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.147g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.301g/mol
Monoisotopic Mass:
205.147g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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