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18951-57-0 | 1-Butene, 1-ethoxy-3,3-dimethyl-, (1Z)-
CAS No: 18951-57-0 Catalog No: AG002DQG MDL No:
Product Description
Catalog Number:
AG002DQG
Chemical Name:
1-Butene, 1-ethoxy-3,3-dimethyl-, (1Z)-
CAS Number:
18951-57-0
Molecular Formula:
C8H16O
Molecular Weight:
128.2120
IUPAC Name:
1-ethoxy-3,3-dimethylbut-1-ene
InChI:
InChI=1S/C8H16O/c1-5-9-7-6-8(2,3)4/h6-7H,5H2,1-4H3
InChI Key:
WSGATPNSJGOYHJ-UHFFFAOYSA-N
SMILES:
CCO/C=C\C(C)(C)C
Properties
Complexity:
87.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.12g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
128.215g/mol
Monoisotopic Mass:
128.12g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
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