CAS
939979-32-5 Purity
96%
939979-32-5 Purity
96%
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Benzene,1-ethyl-4-(methyl-d3)- (9CI)
CAS
939-98-0
Catalog Number
ACM939980
Category
Other Products
Molecular Weight
123.2101
Molecular Formula
C9H9 D3
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Specification
Synonyms
4-ETHYLTOLUENE-ALPHA,ALPHA,ALPHA-D3
IUPAC Name
1-ethyl-4-(trideuteriomethyl)benzene
Canonical SMILES
CCC1=CC=C(C=C1)C
InChI Key
JRLPEMVDPFPYPJ-BMSJAHLVSA-N
Boiling Point
161.7ºC at 760 mmHg
Flash Point
36.7ºC
Density
0.889 g/cm³
Exact Mass
123.11300
H-Bond Acceptor
0
H-Bond Donor
0
What is the molecular formula of Benzene, 1-ethyl-4-(methyl-d3)- (9CI)?
The molecular formula is C9H12.
When was Benzene, 1-ethyl-4-(methyl-d3)- (9CI) created?
It was created on August 8, 2005.
What is the molecular weight of Benzene, 1-ethyl-4-(methyl-d3)- (9CI)?
The molecular weight is 123.21 g/mol.
What is the IUPAC name of Benzene, 1-ethyl-4-(methyl-d3)- (9CI)?
The IUPAC name is 1-ethyl-4-(trideuteriomethyl)benzene.
What is the InChIKey of Benzene, 1-ethyl-4-(methyl-d3)- (9CI)?
The InChIKey is JRLPEMVDPFPYPJ-BMSJAHLVSA-N.
How many hydrogen bond donor counts are there in Benzene, 1-ethyl-4-(methyl-d3)- (9CI)?
There are 0 hydrogen bond donor counts.
What is the XLogP3 value of Benzene, 1-ethyl-4-(methyl-d3)- (9CI)?
The XLogP3 value is 3.6.
How many rotatable bond counts are there in Benzene, 1-ethyl-4-(methyl-d3)- (9CI)?
There is 1 rotatable bond count.
What is the topological polar surface area of Benzene, 1-ethyl-4-(methyl-d3)- (9CI)?
The topological polar surface area is 0.2.
Is the compound canonicalized for Benzene, 1-ethyl-4-(methyl-d3)- (9CI)?
Yes, the compound is canonicalized.
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