2-(4-Methoxyphenyl)-5-methyl-1,3-dioxane-5-carboxylic acid

HCID 585147
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Basic information

CAS
219529-78-9
Standard SMILES
COc1ccc(C2OCC(C)(C(=O)O)CO2)cc1
InChIKey
KGWLYWQUODVETH-UHFFFAOYSA-N
Molecular formula
C13H16O5
Average molar mass
252.26 g/mol
Monoisotopic mass
252.09977361

Names & identifiers

Preferred name
2-(4-Methoxyphenyl)-5-methyl-1,3-dioxane-5-carboxylic acid
IUPAC
2-(4-methoxyphenyl)-5-methyl-1,3-dioxane-5-carboxylic acid
English name
2-(4-METHOXYPHENYL)-5-METHYL-1,3-DIOXANE-5-CARBOXYLIC ACID
Molecular formula
C13H16O5
Molecular weight
252.26

Names & synonyms

2-(4-Methoxyphenyl)-5-methyl-1,3-dioxane-5-carboxylic acid219529-78-9DTXSID70342863RefChem:252550DTXCID30293943ST093109HMS1550G14TimTec1_005778SCHEMBL2160912STK663435AKOS001741823AKOS003239104
Show more names
NCGC00173520-01CS-0358744AG-205/40650281SR-01000532281SR-01000532281-11,3-Dioxane-5-carboxylic acid, 2-(4-methoxyphenyl)-5-methyl-2-(4-Methoxyphenyl)-5-methyl-1,3-dioxane-5-carboxylic acid #

Database identifiers

CAS
219529-78-9
PubChem CID
585147
DTXSID
DTXSID70342863

Properties

Computed structural properties

XLogP
1.2
Topological polar surface area
65 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
18

Physicochemical properties

Boiling point
417.2 · 417.2±45.0 °C(Predicted)
Density
1.216 · 1.216±0.06 g/cm3(Predicted)
pka
3.87 · 3.87±0.40(Predicted)

Chemistry & industry

Suppliers3 total

成都思天德生物科技有限公司028-83243028 19136088901 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]

Related reactions

1 records
New reaction record

Compound notes

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