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82563-75-5 | 2-METHYL-3,4-DIHYDRO-1H-ISOQUINOLINE-4,6,7-TRIOL
CAS No: 82563-75-5 Catalog No: AG0053M4 MDL No:
Product Description
Catalog Number:
AG0053M4
Chemical Name:
2-METHYL-3,4-DIHYDRO-1H-ISOQUINOLINE-4,6,7-TRIOL
CAS Number:
82563-75-5
Molecular Formula:
C10H13NO3
Molecular Weight:
195.2151
IUPAC Name:
2-methyl-3,4-dihydro-1H-isoquinoline-4,6,7-triol
InChI:
InChI=1S/C10H13NO3/c1-11-4-6-2-8(12)9(13)3-7(6)10(14)5-11/h2-3,10,12-14H,4-5H2,1H3
InChI Key:
PIJDIPDQQMXWEM-UHFFFAOYSA-N
SMILES:
CN1CC(O)c2c(C1)cc(c(c2)O)O
NSC Number:
693428
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:
3
Isotope Atom Count:
0
Molecular Weight:
195.218g/mol
Monoisotopic Mass:
195.09g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
63.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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