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113646-65-4 | Oxirane, 2-(1-propen-1-yl)-3-propyl-
CAS No: 113646-65-4 Catalog No: AG00098F MDL No:
Product Description
Catalog Number:
AG00098F
Chemical Name:
Oxirane, 2-(1-propen-1-yl)-3-propyl-
CAS Number:
113646-65-4
Molecular Formula:
C8H14O
Molecular Weight:
126.1962
IUPAC Name:
2-prop-1-enyl-3-propyloxirane
InChI:
InChI=1S/C8H14O/c1-3-5-7-8(9-7)6-4-2/h3,5,7-8H,4,6H2,1-2H3
InChI Key:
OXOXOIPOGHCUTH-UHFFFAOYSA-N
SMILES:
CCCC1OC1C=CC
Properties
Complexity:
107
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:
3
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
1
XLogP3:
2.1
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