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10032-00-5 | Butanoic acid, 3-oxo-, (2E)-3,7-dimethyl-2,6-octadien-1-yl ester
CAS No: 10032-00-5 Catalog No: AG0001MT MDL No:
Product Description
Catalog Number:
AG0001MT
Chemical Name:
Butanoic acid, 3-oxo-, (2E)-3,7-dimethyl-2,6-octadien-1-yl ester
CAS Number:
10032-00-5
Molecular Formula:
C14H22O3
Molecular Weight:
238.3227
IUPAC Name:
[(2E)-3,7-dimethylocta-2,6-dienyl] 3-oxobutanoate
InChI:
InChI=1S/C14H22O3/c1-11(2)6-5-7-12(3)8-9-17-14(16)10-13(4)15/h6,8H,5,7,9-10H2,1-4H3/b12-8+
InChI Key:
RYILZWKGLGVPOC-XYOKQWHBSA-N
SMILES:
C/C(=C\COC(=O)CC(=O)C)/CCC=C(C)C
EC Number:
233-101-5
UNII:
08QN2PN8MT
FEMA Number:
2510
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
238.157g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.327g/mol
Monoisotopic Mass:
238.157g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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