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1740-74-5 | 2-Butene, 1,1-diethoxy-3-methyl-
CAS No: 1740-74-5 Catalog No: AG001ZE2 MDL No:MFCD03093968
Product Description
Catalog Number:
AG001ZE2
Chemical Name:
2-Butene, 1,1-diethoxy-3-methyl-
CAS Number:
1740-74-5
Molecular Formula:
C9H18O2
Molecular Weight:
158.2380
MDL Number:
MFCD03093968
IUPAC Name:
1,1-diethoxy-3-methylbut-2-ene
InChI:
InChI=1S/C9H18O2/c1-5-10-9(11-6-2)7-8(3)4/h7,9H,5-6H2,1-4H3
InChI Key:
SFUKGEREDDIOED-UHFFFAOYSA-N
SMILES:
CCOC(C=C(C)C)OCC
Properties
Complexity:
109
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.131g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.241g/mol
Monoisotopic Mass:
158.131g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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