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185303-49-5 | 2-Propenal, 3-(3,4-dihydro-1(2H)-quinolinyl)-, (E)-
CAS No: 185303-49-5 Catalog No: AG007TKU MDL No:
Product Description
Catalog Number:
AG007TKU
Chemical Name:
2-Propenal, 3-(3,4-dihydro-1(2H)-quinolinyl)-, (E)-
CAS Number:
185303-49-5
Molecular Formula:
C12H13NO
Molecular Weight:
187.2377
IUPAC Name:
3-(3,4-dihydro-2H-quinolin-1-yl)prop-2-enal
InChI:
InChI=1S/C12H13NO/c14-10-4-9-13-8-3-6-11-5-1-2-7-12(11)13/h1-2,4-5,7,9-10H,3,6,8H2
InChI Key:
DGPOXQMNRDJDHL-UHFFFAOYSA-N
SMILES:
O=C/C=C/N1CCCc2c1cccc2
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.1g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.242g/mol
Monoisotopic Mass:
187.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2
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