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88347-71-1 | 3-Butenal, 2,4-bis(acetyloxy)-2-methyl-
CAS No: 88347-71-1 Catalog No: AG0047A1 MDL No:
Product Description
Catalog Number:
AG0047A1
Chemical Name:
3-Butenal, 2,4-bis(acetyloxy)-2-methyl-
CAS Number:
88347-71-1
Molecular Formula:
C9H12O5
Molecular Weight:
200.1886
IUPAC Name:
(3-acetyloxy-3-methyl-4-oxobut-1-enyl) acetate
InChI:
InChI=1S/C9H12O5/c1-7(11)13-5-4-9(3,6-10)14-8(2)12/h4-6H,1-3H3
InChI Key:
JLRCDNIPKBZRAI-UHFFFAOYSA-N
SMILES:
O=CC(OC(=O)C)(C=COC(=O)C)C
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.068g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.19g/mol
Monoisotopic Mass:
200.068g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
0.1
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