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26502-11-4

26502-11-4 | 1,3,5-Hexatriene, 2-methyl-, (3Z)-

CAS No: 26502-11-4 Catalog No: AG002THO MDL No:

Product Description

Catalog Number:
AG002THO
Chemical Name:
1,3,5-Hexatriene, 2-methyl-, (3Z)-
CAS Number:
26502-11-4
Molecular Formula:
C7H10
Molecular Weight:
94.1543
IUPAC Name:
2-methylhexa-1,3,5-triene
InChI:
InChI=1S/C7H10/c1-4-5-6-7(2)3/h4-6H,1-2H2,3H3
InChI Key:
PPWGXYXJMQAWSX-UHFFFAOYSA-N
SMILES:
C=C/C=C\C(=C)C

Properties

Complexity:
96.6  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
94.078g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
94.157g/mol
Monoisotopic Mass:
94.078g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
3.1  

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