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60249-14-1 | 2-Ethyl-6-methoxy-2H-pyran-3(6H)-one
CAS No: 60249-14-1 Catalog No: AG003AP2 MDL No:
Product Description
Catalog Number:
AG003AP2
Chemical Name:
2-Ethyl-6-methoxy-2H-pyran-3(6H)-one
CAS Number:
60249-14-1
Molecular Formula:
C8H12O3
Molecular Weight:
156.1791
IUPAC Name:
6-ethyl-2-methoxy-2H-pyran-5-one
InChI:
InChI=1S/C8H12O3/c1-3-7-6(9)4-5-8(10-2)11-7/h4-5,7-8H,3H2,1-2H3
InChI Key:
VYWBYISNYZSJLL-UHFFFAOYSA-N
SMILES:
CCC1OC(OC)C=CC1=O
NSC Number:
330492
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.079g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
156.181g/mol
Monoisotopic Mass:
156.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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