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93202-93-8 | 1,2,3,4-Tetrahydroisoquinoline-4,6-diol
CAS No: 93202-93-8 Catalog No: AG006I14 MDL No:MFCD01717392
Product Description
Catalog Number:
AG006I14
Chemical Name:
1,2,3,4-Tetrahydroisoquinoline-4,6-diol
CAS Number:
93202-93-8
Molecular Formula:
C9H11NO2
Molecular Weight:
165.1891
MDL Number:
MFCD01717392
IUPAC Name:
1,2,3,4-tetrahydroisoquinoline-4,6-diol
InChI:
InChI=1S/C9H11NO2/c11-7-2-1-6-4-10-5-9(12)8(6)3-7/h1-3,9-12H,4-5H2
InChI Key:
LJRLBPHJWAJIOD-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)C(O)CNC2
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.079g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
165.192g/mol
Monoisotopic Mass:
165.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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