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139254-75-4 | 4,6,7-Isoquinolinetriol, 1,2,3,4-tetrahydro-1-methyl-, cis-
CAS No: 139254-75-4 Catalog No: AG006Y6L MDL No:
Product Description
Catalog Number:
AG006Y6L
Chemical Name:
4,6,7-Isoquinolinetriol, 1,2,3,4-tetrahydro-1-methyl-, cis-
CAS Number:
139254-75-4
Molecular Formula:
C10H13NO3
Molecular Weight:
195.2151
IUPAC Name:
1-methyl-1,2,3,4-tetrahydroisoquinoline-4,6,7-triol
InChI:
InChI=1S/C10H13NO3/c1-5-6-2-8(12)9(13)3-7(6)10(14)4-11-5/h2-3,5,10-14H,4H2,1H3
InChI Key:
WJKTWCQUWWUWJC-UHFFFAOYSA-N
SMILES:
O[C@H]1CN[C@H](c2c1cc(O)c(c2)O)C
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.09g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
195.218g/mol
Monoisotopic Mass:
195.09g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
72.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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