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63095-11-4 | 2,2,4-trimethyl-1,2,3,4-tetrahydro-7-quinolinol
CAS No: 63095-11-4 Catalog No: AG00JIWE MDL No:MFCD24549530
Product Description
Catalog Number:
AG00JIWE
Chemical Name:
2,2,4-trimethyl-1,2,3,4-tetrahydro-7-quinolinol
CAS Number:
63095-11-4
Molecular Formula:
C12H17NO
Molecular Weight:
191.2695
MDL Number:
MFCD24549530
IUPAC Name:
(4S)-2,2,4-trimethyl-3,4-dihydro-1H-quinolin-7-ol
InChI:
InChI=1S/C12H17NO/c1-8-7-12(2,3)13-11-6-9(14)4-5-10(8)11/h4-6,8,13-14H,7H2,1-3H3/t8-/m0/s1
InChI Key:
MCKAOOXNVONPCG-QMMMGPOBSA-N
SMILES:
Oc1ccc2c(c1)NC(CC2C)(C)C
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
191.131g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
191.274g/mol
Monoisotopic Mass:
191.131g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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