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314050-20-9 | Carbonic acid, 1,1-dimethylethyl (2E)-3-(3-quinolinyl)-2-propenyl ester
CAS No: 314050-20-9 Catalog No: AG007JMQ MDL No:
Product Description
Catalog Number:
AG007JMQ
Chemical Name:
Carbonic acid, 1,1-dimethylethyl (2E)-3-(3-quinolinyl)-2-propenyl ester
CAS Number:
314050-20-9
Molecular Formula:
C17H19NO3
Molecular Weight:
285.3377
IUPAC Name:
tert-butyl 3-quinolin-3-ylprop-2-enyl carbonate
InChI:
InChI=1S/C17H19NO3/c1-17(2,3)21-16(19)20-10-6-7-13-11-14-8-4-5-9-15(14)18-12-13/h4-9,11-12H,10H2,1-3H3
InChI Key:
HJMZDIBWGNSWDF-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)OC/C=C/c1cnc2c(c1)cccc2
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.136g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.343g/mol
Monoisotopic Mass:
285.136g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
48.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.9
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