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414881-77-9 | 3-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]phenol
CAS No: 414881-77-9 Catalog No: AG01C5MO MDL No:MFCD00810836
Product Description
Catalog Number:
AG01C5MO
Chemical Name:
3-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]phenol
CAS Number:
414881-77-9
Molecular Formula:
C16H17NO
Molecular Weight:
239.3123
MDL Number:
MFCD00810836
IUPAC Name:
3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenol
InChI:
InChI=1S/C16H17NO/c18-16-7-3-4-13(10-16)11-17-9-8-14-5-1-2-6-15(14)12-17/h1-7,10,18H,8-9,11-12H2
InChI Key:
LWYYVXYAPUGZEZ-UHFFFAOYSA-N
SMILES:
Oc1cccc(c1)CN1CCc2c(C1)cccc2
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.131g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.318g/mol
Monoisotopic Mass:
239.131g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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