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405271-98-9 | Pentanoic acid, 2-(7-isoquinolinyloxy)-, 1,1-dimethylethyl ester
CAS No: 405271-98-9 Catalog No: AG0076MT MDL No:
Product Description
Catalog Number:
AG0076MT
Chemical Name:
Pentanoic acid, 2-(7-isoquinolinyloxy)-, 1,1-dimethylethyl ester
CAS Number:
405271-98-9
Molecular Formula:
C18H23NO3
Molecular Weight:
301.3801
IUPAC Name:
tert-butyl 2-isoquinolin-7-yloxypentanoate
InChI:
InChI=1S/C18H23NO3/c1-5-6-16(17(20)22-18(2,3)4)21-15-8-7-13-9-10-19-12-14(13)11-15/h7-12,16H,5-6H2,1-4H3
InChI Key:
ZPXVHDXMWIWPPC-UHFFFAOYSA-N
SMILES:
CCCC(C(=O)OC(C)(C)C)Oc1ccc2c(c1)cncc2
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.168g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.386g/mol
Monoisotopic Mass:
301.168g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
48.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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