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14097-42-8 | 5-Isoquinolinol, 1,2,3,4-tetrahydro-2-methyl-
CAS No: 14097-42-8 Catalog No: AG001FP6 MDL No:MFCD13179350
Product Description
Catalog Number:
AG001FP6
Chemical Name:
5-Isoquinolinol, 1,2,3,4-tetrahydro-2-methyl-
CAS Number:
14097-42-8
Molecular Formula:
C10H13NO
Molecular Weight:
163.2163
MDL Number:
MFCD13179350
IUPAC Name:
2-methyl-3,4-dihydro-1H-isoquinolin-5-ol
InChI:
InChI=1S/C10H13NO/c1-11-6-5-9-8(7-11)3-2-4-10(9)12/h2-4,12H,5-7H2,1H3
InChI Key:
YNGGLUVRQLFWGP-UHFFFAOYSA-N
SMILES:
CN1CCc2c(C1)cccc2O
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.1g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
163.22g/mol
Monoisotopic Mass:
163.1g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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