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113698-61-6 | 2-Oxiranepropanal, 3-(1-methylethylidene)-
CAS No: 113698-61-6 Catalog No: AG0009CY MDL No:
Product Description
Catalog Number:
AG0009CY
Chemical Name:
2-Oxiranepropanal, 3-(1-methylethylidene)-
CAS Number:
113698-61-6
Molecular Formula:
C8H12O2
Molecular Weight:
140.1797
IUPAC Name:
3-(3-propan-2-ylideneoxiran-2-yl)propanal
InChI:
InChI=1S/C8H12O2/c1-6(2)8-7(10-8)4-3-5-9/h5,7H,3-4H2,1-2H3
InChI Key:
RAJBXBOLWHCUHK-UHFFFAOYSA-N
SMILES:
O=CCCC1OC1=C(C)C
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.084g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.182g/mol
Monoisotopic Mass:
140.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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