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17459-85-7 | 1-benzyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol
CAS No: 17459-85-7 Catalog No: AG0078VW MDL No:
Product Description
Catalog Number:
AG0078VW
Chemical Name:
1-benzyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol
CAS Number:
17459-85-7
Molecular Formula:
C16H17NO2
Molecular Weight:
255.3117
IUPAC Name:
1-benzyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol
InChI:
InChI=1S/C16H17NO2/c18-15-9-12-6-7-17-14(13(12)10-16(15)19)8-11-4-2-1-3-5-11/h1-5,9-10,14,17-19H,6-8H2
InChI Key:
GGGSEBXTKMTNBW-UHFFFAOYSA-N
SMILES:
Oc1cc2CCNC(c2cc1O)Cc1ccccc1
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.126g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
255.317g/mol
Monoisotopic Mass:
255.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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