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Home > Other Heterocycles > 38284-44-5
38284-44-5 | Hexanal, 2-(bicyclo[2.2.1]hept-5-en-2-ylmethylene)-
CAS No: 38284-44-5 Catalog No: AG007ABA MDL No:
Product Description
Catalog Number:
AG007ABA
Chemical Name:
Hexanal, 2-(bicyclo[2.2.1]hept-5-en-2-ylmethylene)-
CAS Number:
38284-44-5
Molecular Formula:
C14H20O
Molecular Weight:
204.3080
IUPAC Name:
(E,2E)-2-(2-bicyclo[2.2.1]hept-5-enylmethylidene)hex-3-enal
InChI:
InChI=1S/C14H18O/c1-2-3-4-12(10-15)9-14-8-11-5-6-13(14)7-11/h3-6,9-11,13-14H,2,7-8H2,1H3/b4-3+,12-9+
InChI Key:
JNXHXORWYNOVCN-GMHKHPCXSA-N
SMILES:
CCCCC(=CC1CC2CC1C=C2)C=O
EC Number:
253-862-7
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
202.136g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.297g/mol
Monoisotopic Mass:
202.136g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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