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439107-12-7 | 3-Quinolinepropanal
CAS No: 439107-12-7 Catalog No: AG0072VQ MDL No:MFCD20336847
Product Description
Catalog Number:
AG0072VQ
Chemical Name:
3-Quinolinepropanal
CAS Number:
439107-12-7
Molecular Formula:
C12H11NO
Molecular Weight:
185.2218
MDL Number:
MFCD20336847
IUPAC Name:
3-quinolin-3-ylpropanal
InChI:
InChI=1S/C12H11NO/c14-7-3-4-10-8-11-5-1-2-6-12(11)13-9-10/h1-2,5-9H,3-4H2
InChI Key:
WAFJXZHEKHZBSY-UHFFFAOYSA-N
SMILES:
O=CCCc1cnc2c(c1)cccc2
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.084g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.226g/mol
Monoisotopic Mass:
185.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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