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37677-09-1 | 4-(2-(3,3-dimethyloxiranyl)ethyl)cyclohex-3-ene-1-carbaldehyde
CAS No: 37677-09-1 Catalog No: AG0078DR MDL No:
Product Description
Catalog Number:
AG0078DR
Chemical Name:
4-(2-(3,3-dimethyloxiranyl)ethyl)cyclohex-3-ene-1-carbaldehyde
CAS Number:
37677-09-1
Molecular Formula:
C13H20O2
Molecular Weight:
208.2967
IUPAC Name:
4-[2-(3,3-dimethyloxiran-2-yl)ethyl]cyclohex-3-ene-1-carbaldehyde
InChI:
InChI=1S/C13H20O2/c1-13(2)12(15-13)8-7-10-3-5-11(9-14)6-4-10/h3,9,11-12H,4-8H2,1-2H3
InChI Key:
QDEJSRGRUBKYGP-UHFFFAOYSA-N
SMILES:
O=CC1CCC(=CC1)CCC1OC1(C)C
EC Number:
253-615-3
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.146g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.301g/mol
Monoisotopic Mass:
208.146g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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