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87707-13-9 | 5,6-dihydroisoquinoline-5,6-diol
CAS No: 87707-13-9 Catalog No: AG004NCA MDL No:
Product Description
Catalog Number:
AG004NCA
Chemical Name:
5,6-dihydroisoquinoline-5,6-diol
CAS Number:
87707-13-9
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
IUPAC Name:
5,6-dihydroisoquinoline-5,6-diol
InChI:
InChI=1S/C9H9NO2/c11-8-2-1-6-5-10-4-3-7(6)9(8)12/h1-5,8-9,11-12H
InChI Key:
BXXLJVSRWPGZRV-UHFFFAOYSA-N
SMILES:
OC1C=Cc2c(C1O)ccnc2
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.063g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
163.176g/mol
Monoisotopic Mass:
163.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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