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33731-59-8 | 2H-Pyran-2-carboxaldehyde,2,5-diethyl-3,4-dihydro-
CAS No: 33731-59-8 Catalog No: AG007IWY MDL No:
Product Description
Catalog Number:
AG007IWY
Chemical Name:
2H-Pyran-2-carboxaldehyde,2,5-diethyl-3,4-dihydro-
CAS Number:
33731-59-8
Molecular Formula:
C10H16O2
Molecular Weight:
168.2328
IUPAC Name:
2,5-diethyl-3,4-dihydropyran-2-carbaldehyde
InChI:
InChI=1S/C10H16O2/c1-3-9-5-6-10(4-2,8-11)12-7-9/h7-8H,3-6H2,1-2H3
InChI Key:
SQZVYXOKAXPDKY-UHFFFAOYSA-N
SMILES:
CCC1=COC(CC1)(CC)C=O
EC Number:
251-659-8
NSC Number:
61264
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.115g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.236g/mol
Monoisotopic Mass:
168.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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