CAS
898791-73-6 Purity
96%
898791-73-6 Purity
96%
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6-Oxo-6-(4-N-propoxyphenyl)hexanoic acid
CAS
898791-76-9
Catalog Number
ACM898791769
Category
Other Products
Molecular Weight
264.32
Molecular Formula
C15H20O4
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Specification
Synonyms
6-OXO-6-(4-N-PROPOXYPHENYL)HEXANOIC ACID
IUPAC Name
6-oxo-6-(4-propoxyphenyl)hexanoic acid
Canonical SMILES
CCCOC1=CC=C(C=C1)C(=O)CCCCC(=O)O
InChI Key
XMSNWWVLDUULAS-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 6-Oxo-6-(4-N-propoxyphenyl)hexanoic acid?
The molecular formula is C15H20O4.
What is the molecular weight of 6-Oxo-6-(4-N-propoxyphenyl)hexanoic acid?
The molecular weight is 264.32 g/mol.
What is the IUPAC name of 6-Oxo-6-(4-N-propoxyphenyl)hexanoic acid?
The IUPAC name is 6-oxo-6-(4-propoxyphenyl)hexanoic acid.
What is the InChI of 6-Oxo-6-(4-N-propoxyphenyl)hexanoic acid?
The InChI is InChI=1S/C15H20O4/c1-2-11-19-13-9-7-12(8-10-13)14(16)5-3-4-6-15(17)18/h7-10H,2-6,11H2,1H3,(H,17,18).
What is the InChIKey of 6-Oxo-6-(4-N-propoxyphenyl)hexanoic acid?
The InChIKey is XMSNWWVLDUULAS-UHFFFAOYSA-N.
What is the canonical SMILES of 6-Oxo-6-(4-N-propoxyphenyl)hexanoic acid?
The canonical SMILES is CCCOC1=CC=C(C=C1)C(=O)CCCCC(=O)O.
What is the CAS number of 6-Oxo-6-(4-N-propoxyphenyl)hexanoic acid?
The CAS number is 898791-76-9.
What is the XLogP3-AA value of 6-Oxo-6-(4-N-propoxyphenyl)hexanoic acid?
The XLogP3-AA value is 2.6.
How many hydrogen bond donor counts does 6-Oxo-6-(4-N-propoxyphenyl)hexanoic acid have?
It has 1 hydrogen bond donor count.
Is 6-Oxo-6-(4-N-propoxyphenyl)hexanoic acid a canonicalized compound according to PubChem?
Yes, it is a canonicalized compound.
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