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137845-90-0 | 1,4-Hexadiene, 2,3,4-trimethyl-
CAS No: 137845-90-0 Catalog No: AG0013XJ MDL No:
Product Description
Catalog Number:
AG0013XJ
Chemical Name:
1,4-Hexadiene, 2,3,4-trimethyl-
CAS Number:
137845-90-0
Molecular Formula:
C9H16
Molecular Weight:
124.2233
IUPAC Name:
2,3,4-trimethylhexa-1,4-diene
InChI:
InChI=1S/C9H16/c1-6-8(4)9(5)7(2)3/h6,9H,2H2,1,3-5H3
InChI Key:
FITBZIOACHQJSD-UHFFFAOYSA-N
SMILES:
CC=C(C(C(=C)C)C)C
Properties
Complexity:
129
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.125g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
124.227g/mol
Monoisotopic Mass:
124.125g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
4
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