CAS
4998-71-4 Purity
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4998-71-4 Purity
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Thujic acid
CAS
499-89-8
Catalog Number
ACM499898
Category
Other Products
Molecular Weight
164.2
Molecular Formula
C10H12O2
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Specification
Synonyms
Thujic acid, NSC36728, CID72620, NSC 36728, AI3-28400, 5,5-Dimethyl-1,3,6-cycloheptatriene-1-carboxylic acid, 1,3,6-Cycloheptatriene-1-carboxylic acid, 5,5-dimethyl-, 1,3,6-Cycloheptatriene-1-carboxylic acid, 5,5-dimethyl- (8CI)(9CI), 499-89-8
IUPAC Name
5,5-dimethylcyclohepta-1,3,6-triene-1-carboxylic acid
Canonical SMILES
CC1(C=CC=C(C=C1)C(=O)O)C
InChI Key
JHHXPQAUADQJBQ-UHFFFAOYSA-N
Boiling Point
285.7ºC at 760mmHg
Flash Point
133.7ºC
Density
1.075g/cm³
Exact Mass
164.08400
H-Bond Acceptor
2
H-Bond Donor
1
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