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Home > Other Heterocycles > 85392-42-3
85392-42-3 | 2-Butenal,4-(3,3-dimethylbicyclo[2.2.1]hept-2-yl)-2-ethyl-
CAS No: 85392-42-3 Catalog No: AG004TM8 MDL No:
Product Description
Catalog Number:
AG004TM8
Chemical Name:
2-Butenal,4-(3,3-dimethylbicyclo[2.2.1]hept-2-yl)-2-ethyl-
CAS Number:
85392-42-3
Molecular Formula:
C15H24O
Molecular Weight:
220.3505
IUPAC Name:
(E)-4-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-2-ethylbut-2-enal
InChI:
InChI=1S/C15H24O/c1-4-11(10-16)5-8-14-12-6-7-13(9-12)15(14,2)3/h5,10,12-14H,4,6-9H2,1-3H3/b11-5+
InChI Key:
SVZGJXGCGUNXMO-VZUCSPMQSA-N
SMILES:
CCC(=CCC1C2CCC(C1(C)C)C2)C=O
EC Number:
286-901-1
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
220.183g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.356g/mol
Monoisotopic Mass:
220.183g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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