Basic information
- CAS
15795-58-1- Standard SMILES
CC1(C)OC(=O)C(=Cc2cccc(O)c2)C(=O)O1- InChIKey
LCLVJNFWTMYFRL-UHFFFAOYSA-N- Molecular formula
- C13H12O5
- Average molar mass
- 248.23 g/mol
- Monoisotopic mass
- 248.06847348
Names & identifiers
- Preferred name
- 5-(3-Hydroxybenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
- IUPAC
- 5-[(3-hydroxyphenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
- English name
- 5-(3-Hydroxybenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
- Molecular formula
- C13H12O5
- Molecular weight
- 248.23
Names & synonyms
15795-58-15-(3-Hydroxybenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dioneDTXSID20345541RefChem:299692DTXCID102966145-[(3-hydroxyphenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione1,3-Dioxane-4,6-dione, 5-[(3-hydroxyphenyl)methylene]-2,2-dimethyl-MFCD001285515-[(3-hydroxyphenyl)methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione5-((3-Hydroxyphenyl)methylidene)-2,2-dimethyl-1,3-dioxane-4,6-dioneSCHEMBL2497792Malonic acid, (m-hydroxybenzylidene)-, cyclic isopropylidene ester
Show more names
AKOS005158310AS-72225DA-09816ST50986351D85789AG-205/076840455-(3-Hydroxybenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione #
Database identifiers
- CAS
15795-58-1- PubChem CID
- 605380
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 374
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers10 total
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
金瓯生物医药（南京）有限公司13000000000 · [email protected]
上海昶衍化工科技有限公司021-20242659 18930833303 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
北京建强伟业科技有限公司（FUSION弗珍试剂品牌）0531-88924771 15614660963 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
泰兴市海川生物科技有限公司19353112242 · [email protected]
Related reactions
14 records
Compound notes
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