CAS
898792-52-4 Purity
96%
898792-52-4 Purity
96%
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5-(3,5-Dimethoxyphenyl)-5-oxovaleric acid
CAS
898792-55-7
Catalog Number
ACM898792557
Category
Other Products
Molecular Weight
252.26
Molecular Formula
C13H16O5
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Specification
Synonyms
5-(3,5-DIMETHOXYPHENYL)-5-OXOVALERIC ACID
IUPAC Name
5-(3,5-dimethoxyphenyl)-5-oxopentanoic acid
Canonical SMILES
COC1=CC(=CC(=C1)C(=O)CCCC(=O)O)OC
InChI Key
GWWBYOZFGUNDBP-UHFFFAOYSA-N
Boiling Point
444.5ºC at 760 mmHg
Flash Point
169ºC
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 24727093?
The molecular formula is C13H16O5.
What is the molecular weight of the compound with PubChem CID 24727093?
The molecular weight is 252.26 g/mol.
What is the IUPAC Name of the compound with PubChem CID 24727093?
The IUPAC Name is 5-(3,5-dimethoxyphenyl)-5-oxopentanoic acid.
What is the InChIKey of the compound with PubChem CID 24727093?
The InChIKey is GWWBYOZFGUNDBP-UHFFFAOYSA-N.
How many hydrogen bond donor counts does the compound with PubChem CID 24727093 have?
The compound has 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts does the compound with PubChem CID 24727093 have?
The compound has 5 hydrogen bond acceptor counts.
What is the topological polar surface area of the compound with PubChem CID 24727093?
The topological polar surface area is 72.8 Ų.
How many rotatable bond counts does the compound with PubChem CID 24727093 have?
The compound has 7 rotatable bond counts.
Is the compound with PubChem CID 24727093 canonicalized?
Yes, the compound is canonicalized.
What is the complexity value of the compound with PubChem CID 24727093?
The complexity value is 277.
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