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74853-82-0 | 4,6-Isoquinolinediol, 1,2,3,4-tetrahydro-1-methyl-, hydrochloride
CAS No: 74853-82-0 Catalog No: AG005GOK MDL No:
Product Description
Catalog Number:
AG005GOK
Chemical Name:
4,6-Isoquinolinediol, 1,2,3,4-tetrahydro-1-methyl-, hydrochloride
CAS Number:
74853-82-0
Molecular Formula:
C10H14ClNO2
Molecular Weight:
215.6767
IUPAC Name:
1-methyl-1,2,3,4-tetrahydroisoquinoline-4,6-diol;hydrochloride
InChI:
InChI=1S/C10H13NO2.ClH/c1-6-8-3-2-7(12)4-9(8)10(13)5-11-6;/h2-4,6,10-13H,5H2,1H3;1H
InChI Key:
IURGYZGICMBDCB-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)C(O)CNC2C.Cl
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.071g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
215.677g/mol
Monoisotopic Mass:
215.071g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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