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Home > Other Heterocycles > 13827-98-0
13827-98-0 | 2-Pentenal, 2-methyl-5-(2-methyl-3-methylenebicyclo[2.2.1]hept-2-yl)-, (2E)-
CAS No: 13827-98-0 Catalog No: AG0018FZ MDL No:
Product Description
Catalog Number:
AG0018FZ
Chemical Name:
2-Pentenal, 2-methyl-5-(2-methyl-3-methylenebicyclo[2.2.1]hept-2-yl)-, (2E)-
CAS Number:
13827-98-0
Molecular Formula:
C15H22O
Molecular Weight:
218.3346
IUPAC Name:
2-methyl-5-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)pent-2-enal
InChI:
InChI=1S/C15H22O/c1-11(10-16)5-4-8-15(3)12(2)13-6-7-14(15)9-13/h5,10,13-14H,2,4,6-9H2,1,3H3
InChI Key:
YFOIGZMLDYUPOI-UHFFFAOYSA-N
SMILES:
O=C/C(=C/CCC1(C)C2CCC(C1=C)C2)/C
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.167g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.34g/mol
Monoisotopic Mass:
218.167g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
1
XLogP3:
3.9
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