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1019438-49-3 | 3-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)phenol
CAS No: 1019438-49-3 Catalog No: AG01A901 MDL No:MFCD12621750
Product Description
Catalog Number:
AG01A901
Chemical Name:
3-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)phenol
CAS Number:
1019438-49-3
Molecular Formula:
C16H15NO2
Molecular Weight:
253.2958
MDL Number:
MFCD12621750
IUPAC Name:
3,4-dihydro-1H-isoquinolin-2-yl-(3-hydroxyphenyl)methanone
InChI:
InChI=1S/C16H15NO2/c18-15-7-3-6-13(10-15)16(19)17-9-8-12-4-1-2-5-14(12)11-17/h1-7,10,18H,8-9,11H2
InChI Key:
BFXJXSCXRCMOGV-UHFFFAOYSA-N
SMILES:
Oc1cccc(c1)C(=O)N1CCc2c(C1)cccc2
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.11g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.301g/mol
Monoisotopic Mass:
253.11g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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