CAS
898792-26-2 Purity
96%
898792-26-2 Purity
96%
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5-(2,3-Dimethoxyphenyl)-5-oxovaleric acid
CAS
898792-29-5
Catalog Number
ACM898792295
Category
Other Products
Molecular Weight
252.26
Molecular Formula
C13H16O5
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Specification
Synonyms
5-(2,3-DIMETHOXYPHENYL)-5-OXOVALERIC ACID
IUPAC Name
5-(2,3-dimethoxyphenyl)-5-oxopentanoic acid
Canonical SMILES
COC1=CC=CC(=C1OC)C(=O)CCCC(=O)O
InChI Key
UNLZVZIWVFSERB-UHFFFAOYSA-N
Boiling Point
427.1ºC at 760 mmHg
Flash Point
161.4ºC
Density
1.183g/cm³
Exact Mass
252.10000
H-Bond Acceptor
5
H-Bond Donor
1
What is the molecular formula of the compound with PubChem CID 24727079?
The molecular formula is C13H16O5.
What is the molecular weight of the compound?
The molecular weight is 252.26 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is 5-(2,3-dimethoxyphenyl)-5-oxopentanoic acid.
What is the InChI key of the compound?
The InChI key is UNLZVZIWVFSERB-UHFFFAOYSA-N.
How many hydrogen bond donor counts are there in the compound?
There is 1 hydrogen bond donor count.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 1.3.
How many hydrogen bond acceptor counts are there in the compound?
There are 5 hydrogen bond acceptor counts.
What is the topological polar surface area of the compound?
The topological polar surface area is 72.8 Ų.
How many rotatable bond counts are there in the compound?
There are 7 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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