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1888-85-3 | Butane, 2-(ethenyloxy)-
CAS No: 1888-85-3 Catalog No: AG002HC8 MDL No:
Product Description
Catalog Number:
AG002HC8
Chemical Name:
Butane, 2-(ethenyloxy)-
CAS Number:
1888-85-3
Molecular Formula:
C6H12O
Molecular Weight:
100.1589
IUPAC Name:
2-ethenoxybutane
InChI:
InChI=1S/C6H12O/c1-4-6(3)7-5-2/h5-6H,2,4H2,1,3H3
InChI Key:
PIUJWWBOMGMSAY-UHFFFAOYSA-N
SMILES:
CC(OC=C)CC
Properties
Complexity:
50.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
100.089g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
100.161g/mol
Monoisotopic Mass:
100.089g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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