CAS
898792-28-4 Purity
96%
898792-28-4 Purity
96%
Inquiry Basket
6-(2,3-Dimethoxyphenyl)-6-oxohexanoic acid
CAS
898792-31-9
Catalog Number
ACM898792319
Category
Other Products
Molecular Weight
266.29656
Molecular Formula
C14H18O5
If you have any other questions or need other size, please get a quote.
- Product Description
- Case Study
- Custom Reviews
- Custom Q&A
- Synthetic Use
- Related Resources
Specification
Synonyms
6-(2,3-DIMETHOXYPHENYL)-6-OXOHEXANOIC ACID, 898792-31-9, CTK5G6872, AKOS016022736, AG-H-67184, KB-198726
IUPAC Name
6-(2,3-dimethoxyphenyl)-6-oxohexanoic acid
Canonical SMILES
COC1=CC=CC(=C1OC)C(=O)CCCCC(=O)O
InChI Key
SUXHKLKUXVORJA-UHFFFAOYSA-N
Boiling Point
433.1ºC at 760 mmHg
Flash Point
160.3ºC
Density
1.159g/cm³
Exact Mass
266.11500
H-Bond Acceptor
5
H-Bond Donor
1
What is the molecular formula of the compound?
The molecular formula of the compound is C14H18O5.
What is the molecular weight of the compound?
The molecular weight of the compound is 266.29 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 6-(2,3-dimethoxyphenyl)-6-oxohexanoic acid.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C14H18O5/c1-18-12-8-5-6-10(14(12)19-2)11(15)7-3-4-9-13(16)17/h5-6,8H,3-4,7,9H2,1-2H3,(H,16,17).
What is the InChIKey of the compound?
The InChIKey of the compound is SUXHKLKUXVORJA-UHFFFAOYSA-N.
What is the Canonical SMILES of the compound?
The Canonical SMILES of the compound is COC1=CC=CC(=C1OC)C(=O)CCCCC(=O)O.
What is the CAS number of the compound?
The CAS number of the compound is 898792-31-9.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 72.8 Å2.
Is the compound canonicalized?
Yes, the compound is canonicalized.
Recommended Products
