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89803-52-1 | Phenol, 4-(2-piperidinylmethyl)-, hydrochloride
CAS No: 89803-52-1 Catalog No: AG003YGE MDL No:
Product Description
Catalog Number:
AG003YGE
Chemical Name:
Phenol, 4-(2-piperidinylmethyl)-, hydrochloride
CAS Number:
89803-52-1
Molecular Formula:
C12H18ClNO
Molecular Weight:
227.7304
IUPAC Name:
4-(piperidin-2-ylmethyl)phenol;hydrochloride
InChI:
InChI=1S/C12H17NO.ClH/c14-12-6-4-10(5-7-12)9-11-3-1-2-8-13-11;/h4-7,11,13-14H,1-3,8-9H2;1H
InChI Key:
WXNPXOQFLWDZTQ-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)CC1CCCCN1.Cl
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.108g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
227.732g/mol
Monoisotopic Mass:
227.108g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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