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88014-11-3 | 2(1H)-Isoquinolinepentanoic acid, 3,4-dihydro-, ethyl ester
CAS No: 88014-11-3 Catalog No: AG004JUL MDL No:
Product Description
Catalog Number:
AG004JUL
Chemical Name:
2(1H)-Isoquinolinepentanoic acid, 3,4-dihydro-, ethyl ester
CAS Number:
88014-11-3
Molecular Formula:
C16H23NO2
Molecular Weight:
261.3593
IUPAC Name:
ethyl 5-(3,4-dihydro-1H-isoquinolin-2-yl)pentanoate
InChI:
InChI=1S/C16H23NO2/c1-2-19-16(18)9-5-6-11-17-12-10-14-7-3-4-8-15(14)13-17/h3-4,7-8H,2,5-6,9-13H2,1H3
InChI Key:
LOEQGHHBTQDTNQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCCN1CCc2c(C1)cccc2
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.173g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.365g/mol
Monoisotopic Mass:
261.173g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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