CAS
96100-12-8 Purity
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96100-12-8 Purity
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4-Formylbicyclo[2.2.2]octane-1-carboxylic acid
CAS
96102-85-1
Catalog Number
ACM96102851
Category
Other Products
Molecular Weight
182.216360 [g/mol]
Molecular Formula
C10H14O3
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Specification
Synonyms
96102-85-1, 4-formylbicyclo[2.2.2]octane-1-carboxylic acid, Bicyclo[2.2.2]octane-1-carboxylic acid, 4-formyl-, ACMC-20a97i, AGN-PC-01411C, CTK3F3012, MolPort-019-878-741, ANW-62860, AKOS015856094, AK101588, KB-38928, FT-0686828, S14-1853
IUPAC Name
1-formylbicyclo[2.2.2]octane-4-carboxylic acid
Canonical SMILES
C1CC2(CCC1(CC2)C=O)C(=O)O
InChI Key
AHSDEYBYYPKZGA-UHFFFAOYSA-N
Boiling Point
318.812ºC at 760 mmHg
Flash Point
160.828ºC
Density
1.388g/cm³
Exact Mass
182.09400
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of 4-Formylbicyclo[2.2.2]octane-1-carboxylic acid?
The molecular formula is C10H14O3.
When was 4-Formylbicyclo[2.2.2]octane-1-carboxylic acid created and last modified?
It was created on 2007-08-09 and last modified on 2023-12-30.
What is the IUPAC name of 4-Formylbicyclo[2.2.2]octane-1-carboxylic acid?
The IUPAC name is 4-formylbicyclo[2.2.2]octane-1-carboxylic acid.
What is the InChI of 4-Formylbicyclo[2.2.2]octane-1-carboxylic acid?
The InChI is InChI=1S/C10H14O3/c11-7-9-1-4-10(5-2-9,6-3-9)8(12)13/h7H,1-6H2,(H,12,13).
What is the InChIKey of 4-Formylbicyclo[2.2.2]octane-1-carboxylic acid?
The InChIKey is AHSDEYBYYPKZGA-UHFFFAOYSA-N.
What are the synonyms for 4-Formylbicyclo[2.2.2]octane-1-carboxylic acid?
Some synonyms include Bicyclo[2.2.2]octane-1-carboxylic acid, 4-formyl- and 4-Formylbicyclo[2.2.2]octane-1-carboxylic acid.
What is the molecular weight of 4-Formylbicyclo[2.2.2]octane-1-carboxylic acid?
The molecular weight is 182.22 g/mol.
How many hydrogen bond donor counts are there in 4-Formylbicyclo[2.2.2]octane-1-carboxylic acid?
There is 1 hydrogen bond donor count.
What is the topological polar surface area of 4-Formylbicyclo[2.2.2]octane-1-carboxylic acid?
The topological polar surface area is 54.4 Ų.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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96107-27-6 Purity
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96107-27-6 Purity
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