CAS
94201-03-3 Purity
96%
94201-03-3 Purity
96%
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Alpha-methylcyclooct-1-ene-1-propionaldehyde
CAS
94201-11-3
Catalog Number
ACM94201113
Category
Other Products
Molecular Weight
180.286600 [g/mol]
Molecular Formula
C12H20O
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Specification
Synonyms
alpha-Methylcyclooct-1-ene-1-propionaldehyde, CTK3I8265, 94201-11-3, AG-H-88163
IUPAC Name
3-(cycloocten-1-yl)-2-methylpropanal
Canonical SMILES
CC(CC1=CCCCCCC1)C=O
InChI Key
KEEMHCSHXIQTKW-UHFFFAOYSA-N
EC Number
303-593-7
H-Bond Acceptor
1
H-Bond Donor
0
What is the molecular formula of alpha-Methylcyclooct-1-ene-1-propionaldehyde?
The molecular formula of alpha-Methylcyclooct-1-ene-1-propionaldehyde is C12H20O.
When was this compound first created?
This compound was first created on August 20, 2009.
What is the molecular weight of alpha-Methylcyclooct-1-ene-1-propionaldehyde?
The molecular weight of alpha-Methylcyclooct-1-ene-1-propionaldehyde is 180.29 g/mol.
What is the IUPAC name of alpha-Methylcyclooct-1-ene-1-propionaldehyde?
The IUPAC name of alpha-Methylcyclooct-1-ene-1-propionaldehyde is 3-[(1E)-cycloocten-1-yl]-2-methylpropanal.
What is the InChI code of alpha-Methylcyclooct-1-ene-1-propionaldehyde?
The InChI code of alpha-Methylcyclooct-1-ene-1-propionaldehyde is InChI=1S/C12H20O/c1-11(10-13)9-12-7-5-3-2-4-6-8-12/h7,10-11H,2-6,8-9H2,1H3/b12-7+.
How many hydrogen bond acceptor counts does alpha-Methylcyclooct-1-ene-1-propionaldehyde have?
Alpha-Methylcyclooct-1-ene-1-propionaldehyde has 1 hydrogen bond acceptor count.
Does alpha-Methylcyclooct-1-ene-1-propionaldehyde have any defined atom stereocenter counts?
Alpha-Methylcyclooct-1-ene-1-propionaldehyde has 0 defined atom stereocenter counts.
What is the topological polar surface area of alpha-Methylcyclooct-1-ene-1-propionaldehyde?
The topological polar surface area of alpha-Methylcyclooct-1-ene-1-propionaldehyde is 17.1 Ų.
How many rotatable bond counts does alpha-Methylcyclooct-1-ene-1-propionaldehyde have?
Alpha-Methylcyclooct-1-ene-1-propionaldehyde has 3 rotatable bond counts.
Is alpha-Methylcyclooct-1-ene-1-propionaldehyde a canonicalized compound?
Yes, alpha-Methylcyclooct-1-ene-1-propionaldehyde is a canonicalized compound.
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CAS
94201-08-8 Purity
96%
94201-08-8 Purity
96%
