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1020933-05-4 | 4-(1,2,3,4-tetrahydroisoquinolin-2-yl)benzoic acid
CAS No: 1020933-05-4 Catalog No: AG01A7TJ MDL No:MFCD11922635
Product Description
Catalog Number:
AG01A7TJ
Chemical Name:
4-(1,2,3,4-tetrahydroisoquinolin-2-yl)benzoic acid
CAS Number:
1020933-05-4
Molecular Formula:
C16H15NO2
Molecular Weight:
253.2958
MDL Number:
MFCD11922635
IUPAC Name:
4-(3,4-dihydro-1H-isoquinolin-2-yl)benzoic acid
InChI:
InChI=1S/C16H15NO2/c18-16(19)13-5-7-15(8-6-13)17-10-9-12-3-1-2-4-14(12)11-17/h1-8H,9-11H2,(H,18,19)
InChI Key:
MLBXNTONPUZECI-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)N1CCc2c(C1)cccc2
Properties
Complexity:
323
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:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.301g/mol
Monoisotopic Mass:
253.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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