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Home > Other Heterocycles > 25190-87-8
25190-87-8 | bicyclo[2.2.1]hepta-2,5-diene; ethene; (4E)-hexa-1,4-diene; prop-1-ene
CAS No: 25190-87-8 Catalog No: AG006WXQ MDL No:
Product Description
Catalog Number:
AG006WXQ
Chemical Name:
bicyclo[2.2.1]hepta-2,5-diene; ethene; (4E)-hexa-1,4-diene; prop-1-ene
CAS Number:
25190-87-8
Molecular Formula:
C18H28
Molecular Weight:
244.4149
IUPAC Name:
bicyclo[2.2.1]hepta-2,5-diene;ethene;(4E)-hexa-1,4-diene;prop-1-ene
InChI:
InChI=1S/C7H8.C6H10.C3H6.C2H4/c1-2-7-4-3-6(1)5-7;1-3-5-6-4-2;1-3-2;1-2/h1-4,6-7H,5H2;3-4,6H,1,5H2,2H3;3H,1H2,2H3;1-2H2/b;6-4+;;
InChI Key:
GXXRDSJORVPUFQ-NGRWPUITSA-N
SMILES:
C1=CC2CC1C=C2.C=CC/C=C/C.CC=C.C=C
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
244.219g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.422g/mol
Monoisotopic Mass:
244.219g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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