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1697090-06-4 | 5-(5-methyl-1,2,3,6-tetrahydropyridin-1-yl)furan-2-carbaldehyde
CAS No: 1697090-06-4 Catalog No: AG01C8IC MDL No:
Product Description
Catalog Number:
AG01C8IC
Chemical Name:
5-(5-methyl-1,2,3,6-tetrahydropyridin-1-yl)furan-2-carbaldehyde
CAS Number:
1697090-06-4
Molecular Formula:
C11H13NO2
Molecular Weight:
191.2264
IUPAC Name:
5-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)furan-2-carbaldehyde
InChI:
InChI=1S/C11H13NO2/c1-9-3-2-6-12(7-9)11-5-4-10(8-13)14-11/h3-5,8H,2,6-7H2,1H3
InChI Key:
CNOTVCSBZRHZBQ-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(o1)N1CCC=C(C1)C
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.095g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.23g/mol
Monoisotopic Mass:
191.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
33.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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