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102540-62-5 | Butanoic acid, 3-oxo-, 1-ethyl-1-methyl-2-propen-1-yl ester
CAS No: 102540-62-5 Catalog No: AG0007NY MDL No:
Product Description
Catalog Number:
AG0007NY
Chemical Name:
Butanoic acid, 3-oxo-, 1-ethyl-1-methyl-2-propen-1-yl ester
CAS Number:
102540-62-5
Molecular Formula:
C10H16O3
Molecular Weight:
184.2322
IUPAC Name:
3-methylpent-1-en-3-yl 3-oxobutanoate
InChI:
InChI=1S/C10H16O3/c1-5-10(4,6-2)13-9(12)7-8(3)11/h5H,1,6-7H2,2-4H3
InChI Key:
XUDHRWBCYJWQRK-UHFFFAOYSA-N
SMILES:
CCC(OC(=O)CC(=O)C)(C=C)C
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.11g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.235g/mol
Monoisotopic Mass:
184.11g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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