CAS
898791-66-7 Purity
96%
898791-66-7 Purity
96%
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7-(4-Ethoxyphenyl)-7-oxoheptanoic acid
CAS
898791-69-0
Catalog Number
ACM898791690
Category
Other Products
Molecular Weight
264.32
Molecular Formula
C15H20O4
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Specification
Synonyms
7-(4-ETHOXYPHENYL)-7-OXOHEPTANOIC ACID
IUPAC Name
7-(4-ethoxyphenyl)-7-oxoheptanoic acid
Canonical SMILES
CCOC1=CC=C(C=C1)C(=O)CCCCCC(=O)O
InChI Key
VFMIVRGEMAKQDV-UHFFFAOYSA-N
Boiling Point
454ºC at 760 mmHg
Flash Point
167.3ºC
Density
1.107g/cm³
Exact Mass
264.13600
H-Bond Acceptor
4
H-Bond Donor
1
What is the molecular formula of 7-(4-Ethoxyphenyl)-7-oxoheptanoic acid?
The molecular formula is C15H20O4.
What is the molecular weight of 7-(4-Ethoxyphenyl)-7-oxoheptanoic acid?
The molecular weight is 264.32 g/mol.
What is the InChI of 7-(4-Ethoxyphenyl)-7-oxoheptanoic acid?
The InChI is InChI=1S/C15H20O4/c1-2-19-13-10-8-12(9-11-13)14(16)6-4-3-5-7-15(17)18/h8-11H,2-7H2,1H3,(H,17,18).
What is the InChIKey of 7-(4-Ethoxyphenyl)-7-oxoheptanoic acid?
The InChIKey is VFMIVRGEMAKQDV-UHFFFAOYSA-N.
What is the Canonical SMILES of 7-(4-Ethoxyphenyl)-7-oxoheptanoic acid?
The Canonical SMILES is CCOC1=CC=C(C=C1)C(=O)CCCCCC(=O)O.
What is the CAS number of 7-(4-Ethoxyphenyl)-7-oxoheptanoic acid?
The CAS number is 898791-69-0.
What is the XLogP3-AA value of 7-(4-Ethoxyphenyl)-7-oxoheptanoic acid?
The XLogP3-AA value is 2.6.
How many hydrogen bond donor counts does 7-(4-Ethoxyphenyl)-7-oxoheptanoic acid have?
It has 1 hydrogen bond donor count.
What is the topological polar surface area of 7-(4-Ethoxyphenyl)-7-oxoheptanoic acid?
The topological polar surface area is 63.6 Ų.
Is 7-(4-Ethoxyphenyl)-7-oxoheptanoic acid a canonicalized compound?
Yes, it is a canonicalized compound.
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