CAS
96097-15-3 Purity
96%
96097-15-3 Purity
96%
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6,8,8-Trimethylnona-2,5-dien-4-one
CAS
96097-18-6
Catalog Number
ACM96097186
Category
Other Products
Molecular Weight
180.286600 [g/mol]
Molecular Formula
C12H20O
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Specification
Synonyms
EINECS 306-097-9, CID6366569, 6,8,8-Trimethylnona-2,5-dien-4-one, 96097-18-6
IUPAC Name
(2E,5E)-6,8,8-trimethylnona-2,5-dien-4-one
InChI Key
RRGOJMZSOZFVKM-LQPGMRSMSA-N
Boiling Point
247.9ºC at 760mmHg
Flash Point
94.9ºC
Density
0.855g/cm³
Exact Mass
180.15100
H-Bond Acceptor
1
H-Bond Donor
0
What is the molecular formula of 6,8,8-Trimethylnona-2,5-dien-4-one?
The molecular formula is C12H20O.
What is the molecular weight of 6,8,8-Trimethylnona-2,5-dien-4-one?
The molecular weight is 180.29 g/mol.
What is the IUPAC name of 6,8,8-Trimethylnona-2,5-dien-4-one?
The IUPAC name is (2E,5E)-6,8,8-trimethylnona-2,5-dien-4-one.
What is the InChI of 6,8,8-Trimethylnona-2,5-dien-4-one?
The InChI is InChI=1S/C12H20O/c1-6-7-11(13)8-10(2)9-12(3,4)5/h6-8H,9H2,1-5H3/b7-6+,10-8+.
What is the InChIKey of 6,8,8-Trimethylnona-2,5-dien-4-one?
The InChIKey is RRGOJMZSOZFVKM-LQPGMRSMSA-N.
What is the Canonical SMILES of 6,8,8-Trimethylnona-2,5-dien-4-one?
The Canonical SMILES is CC=CC(=O)C=C(C)CC(C)(C)C.
What is the Isomeric SMILES of 6,8,8-Trimethylnona-2,5-dien-4-one?
The Isomeric SMILES is C/C=C/C(=O)/C=C(\C)/CC(C)(C)C.
What is the CAS number of 6,8,8-Trimethylnona-2,5-dien-4-one?
The CAS number is 96097-18-6.
What is the European Community (EC) Number of 6,8,8-Trimethylnona-2,5-dien-4-one?
The European Community (EC) Number is 306-097-9.
What is the XLogP3-AA value of 6,8,8-Trimethylnona-2,5-dien-4-one?
The XLogP3-AA value is 3.8.
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