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18881-17-9 | 3-Isoquinolinemethanol, 1,2,3,4-tetrahydro-, (3S)-
CAS No: 18881-17-9 Catalog No: AG002HCX MDL No:MFCD01631316
Product Description
Catalog Number:
AG002HCX
Chemical Name:
3-Isoquinolinemethanol, 1,2,3,4-tetrahydro-, (3S)-
CAS Number:
18881-17-9
Molecular Formula:
C10H13NO
Molecular Weight:
163.2163
MDL Number:
MFCD01631316
IUPAC Name:
[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol
InChI:
InChI=1S/C10H13NO/c12-7-10-5-8-3-1-2-4-9(8)6-11-10/h1-4,10-12H,5-7H2/t10-/m0/s1
InChI Key:
ZSKDXMLMMQFHGW-JTQLQIEISA-N
SMILES:
OC[C@H]1NCc2c(C1)cccc2
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
2
Isotope Atom Count:
0
Molecular Weight:
163.22g/mol
Monoisotopic Mass:
163.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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