CAS
99057-99-5 Purity
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99057-99-5 Purity
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3-Iodo-4-isopropylbenzoic acid
CAS
99059-64-0
Catalog Number
ACM99059640
Category
Other Products
Molecular Weight
290.097610 [g/mol]
Molecular Formula
C10H11IO2
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Specification
Synonyms
3-iodo-4-isopropylbenzoic acid, 99059-64-0, SureCN2158791, 3-iodo-4-isopropyl-benzoic acid, CTK5I0194, 3-iodo-4-propan-2-ylbenzoic acid, SBB064848, AKOS015841721, 3-iodanyl-4-propan-2-yl-benzoic acid, AG-I-03390, AK-93350, KB-145129, FT-0653284, A845950, I01-6097
IUPAC Name
3-iodo-4-propan-2-ylbenzoic acid
Canonical SMILES
CC(C)C1=C(C=C(C=C1)C(=O)O)I
InChI Key
YKYRHJJXCOILPA-UHFFFAOYSA-N
Exact Mass
289.98000
H-Bond Acceptor
2
H-Bond Donor
1
What is the molecular formula of 3-iodo-4-isopropylbenzoic acid?
The molecular formula of 3-iodo-4-isopropylbenzoic acid is C10H11IO2.
When was 3-iodo-4-isopropylbenzoic acid created?
3-iodo-4-isopropylbenzoic acid was created on March 23, 2010.
What is the molecular weight of 3-iodo-4-isopropylbenzoic acid?
The molecular weight of 3-iodo-4-isopropylbenzoic acid is 290.10 g/mol.
What is the IUPAC name of 3-iodo-4-isopropylbenzoic acid?
The IUPAC name of 3-iodo-4-isopropylbenzoic acid is 3-iodo-4-propan-2-ylbenzoic acid.
What is the Canonical SMILES representation of 3-iodo-4-isopropylbenzoic acid?
The Canonical SMILES representation of 3-iodo-4-isopropylbenzoic acid is CC(C)C1=C(C=C(C=C1)C(=O)O)I.
How many hydrogen bond donor counts does 3-iodo-4-isopropylbenzoic acid have?
3-iodo-4-isopropylbenzoic acid has 1 hydrogen bond donor count.
What is the XLogP3-AA value of 3-iodo-4-isopropylbenzoic acid?
The XLogP3-AA value of 3-iodo-4-isopropylbenzoic acid is 3.2.
What is the topological polar surface area of 3-iodo-4-isopropylbenzoic acid?
The topological polar surface area of 3-iodo-4-isopropylbenzoic acid is 37.3 Ų.
How many heavy atoms are present in 3-iodo-4-isopropylbenzoic acid?
There are 13 heavy atoms present in 3-iodo-4-isopropylbenzoic acid.
Is the compound of 3-iodo-4-isopropylbenzoic acid canonicalized?
Yes, the compound of 3-iodo-4-isopropylbenzoic acid is canonicalized.
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