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36556-02-2 | 5,6,7,8-tetrahydroisoquinoline-1,3-diol
CAS No: 36556-02-2 Catalog No: AG00CARG MDL No:MFCD19301202
Product Description
Catalog Number:
AG00CARG
Chemical Name:
5,6,7,8-tetrahydroisoquinoline-1,3-diol
CAS Number:
36556-02-2
Molecular Formula:
C9H11NO2
Molecular Weight:
165.1891
MDL Number:
MFCD19301202
IUPAC Name:
1-hydroxy-5,6,7,8-tetrahydro-2H-isoquinolin-3-one
InChI:
InChI=1S/C9H11NO2/c11-8-5-6-3-1-2-4-7(6)9(12)10-8/h5H,1-4H2,(H2,10,11,12)
InChI Key:
KIBWBJZQFURZIF-UHFFFAOYSA-N
SMILES:
Oc1cc2CCCCc2c(n1)O
Properties
Complexity:
289
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:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
165.192g/mol
Monoisotopic Mass:
165.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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