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113501-10-3 | Oxirane, 2-butyl-3-ethenyl-, cis- (9CI)
CAS No: 113501-10-3 Catalog No: AG0008T9 MDL No:
Product Description
Catalog Number:
AG0008T9
Chemical Name:
Oxirane, 2-butyl-3-ethenyl-, cis- (9CI)
CAS Number:
113501-10-3
Molecular Formula:
C8H14O
Molecular Weight:
126.1962
IUPAC Name:
2-butyl-3-ethenyloxirane
InChI:
InChI=1S/C8H14O/c1-3-5-6-8-7(4-2)9-8/h4,7-8H,2-3,5-6H2,1H3
InChI Key:
ZGTDECSFVRQDAW-UHFFFAOYSA-N
SMILES:
CCCC[C@@H]1O[C@@H]1C=C
Properties
Complexity:
98.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.104g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
126.199g/mol
Monoisotopic Mass:
126.104g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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