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119193-19-0 | Phenol, 3-[(3R,4R)-3,4-dimethyl-4-piperidinyl]-
CAS No: 119193-19-0 Catalog No: AG000IB3 MDL No:MFCD06659960
Product Description
Catalog Number:
AG000IB3
Chemical Name:
Phenol, 3-[(3R,4R)-3,4-dimethyl-4-piperidinyl]-
CAS Number:
119193-19-0
Molecular Formula:
C13H19NO
Molecular Weight:
205.2961
MDL Number:
MFCD06659960
IUPAC Name:
3-[(3R,4R)-3,4-dimethylpiperidin-4-yl]phenol
InChI:
InChI=1S/C13H19NO/c1-10-9-14-7-6-13(10,2)11-4-3-5-12(15)8-11/h3-5,8,10,14-15H,6-7,9H2,1-2H3/t10-,13+/m0/s1
InChI Key:
HXZDAOSDNCHKFE-GXFFZTMASA-N
SMILES:
Oc1cccc(c1)[C@]1(C)CCNC[C@@H]1C
EC Number:
927-919-8
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
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:
2
Isotope Atom Count:
0
Molecular Weight:
205.301g/mol
Monoisotopic Mass:
205.147g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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