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742005-52-3 | 6,7-Isoquinolinediol, 1,2,3,4-tetrahydro-2,4,4-trimethyl- (9CI)
CAS No: 742005-52-3 Catalog No: AG00FTDA MDL No:
Product Description
Catalog Number:
AG00FTDA
Chemical Name:
6,7-Isoquinolinediol, 1,2,3,4-tetrahydro-2,4,4-trimethyl- (9CI)
CAS Number:
742005-52-3
IUPAC Name:
2,4,4-trimethyl-1,3-dihydroisoquinoline-6,7-diol
InChI:
InChI=1S/C12H17NO2/c1-12(2)7-13(3)6-8-4-10(14)11(15)5-9(8)12/h4-5,14-15H,6-7H2,1-3H3
InChI Key:
IUNWFAJFAHSPJJ-UHFFFAOYSA-N
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.126g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
207.273g/mol
Monoisotopic Mass:
207.126g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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