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90136-95-1 | Phenol, 2-[(1,2,3,4-tetrahydro-2-methyl-4-isoquinolinyl)methyl]-
CAS No: 90136-95-1 Catalog No: AG006IUX MDL No:
Product Description
Catalog Number:
AG006IUX
Chemical Name:
Phenol, 2-[(1,2,3,4-tetrahydro-2-methyl-4-isoquinolinyl)methyl]-
CAS Number:
90136-95-1
Molecular Formula:
C17H19NO
Molecular Weight:
253.3389
IUPAC Name:
2-[(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)methyl]phenol
InChI:
InChI=1S/C17H19NO/c1-18-11-14-7-2-4-8-16(14)15(12-18)10-13-6-3-5-9-17(13)19/h2-9,15,19H,10-12H2,1H3
InChI Key:
XACCUMOFSBQYPD-UHFFFAOYSA-N
SMILES:
CN1Cc2ccccc2C(C1)Cc1ccccc1O
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.147g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.345g/mol
Monoisotopic Mass:
253.147g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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