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89036-07-7 | 2H-Pyran-2-one, 5,6-dihydro-4-propyl-
CAS No: 89036-07-7 Catalog No: AG00428L MDL No:
Product Description
Catalog Number:
AG00428L
Chemical Name:
2H-Pyran-2-one, 5,6-dihydro-4-propyl-
CAS Number:
89036-07-7
Molecular Formula:
C8H12O2
Molecular Weight:
140.1797
IUPAC Name:
4-propyl-2,3-dihydropyran-6-one
InChI:
InChI=1S/C8H12O2/c1-2-3-7-4-5-10-8(9)6-7/h6H,2-5H2,1H3
InChI Key:
LAQOONWZVKIZJO-UHFFFAOYSA-N
SMILES:
CCCC1=CC(=O)OCC1
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.084g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.182g/mol
Monoisotopic Mass:
140.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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