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828916-61-6 | 2(5H)-Furanone, 4-(3-butenyloxy)-5-methyl-, (5S)-
CAS No: 828916-61-6 Catalog No: AG0054XY MDL No:
Product Description
Catalog Number:
AG0054XY
Chemical Name:
2(5H)-Furanone, 4-(3-butenyloxy)-5-methyl-, (5S)-
CAS Number:
828916-61-6
Molecular Formula:
C9H12O3
Molecular Weight:
168.1898
IUPAC Name:
(2S)-3-but-3-enoxy-2-methyl-2H-furan-5-one
InChI:
InChI=1S/C9H12O3/c1-3-4-5-11-8-6-9(10)12-7(8)2/h3,6-7H,1,4-5H2,2H3/t7-/m0/s1
InChI Key:
BEIQQQIMSIGXJM-ZETCQYMHSA-N
SMILES:
C[C@@H]1OC(=O)C=C1OCCC=C
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
168.079g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.192g/mol
Monoisotopic Mass:
168.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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