Basic information
- CAS
3927-60-4- Standard SMILES
COC(=O)CCCCCCCCCC(=O)O- InChIKey
JAELIPKEGUQPKD-UHFFFAOYSA-N- Molecular formula
- C12H22O4
- Average molar mass
- 230.3 g/mol
- Monoisotopic mass
- 230.15180918
Names & identifiers
- Preferred name
- 11-Methoxy-11-oxoundecanoic acid
- IUPAC
- 11-methoxy-11-oxoundecanoic acid
- English name
- Methylhydrogenhendecanedioate
- Molecular formula
- C12H22O4
- Molecular weight
- 230.3
Names & synonyms
11-Methoxy-11-oxoundecanoic acid3927-60-4Undecanedioic acid,1-methyl esterUndecanedioic acid, monomethyl esterUndecanedioic acid 1-methyl esterNSC38783MFCD00673464Undecanedioic acid, 1-methyl esterMethylhydrogenhendecanedioateUndecanedioic acid hydrogen 1-methyl esterSCHEMBL879955orb3176866
Show more names
undecanedioic acid monomethylester11-Methoxy-11-oxoundecanoicacidDTXSID60284743JAELIPKEGUQPKD-UHFFFAOYSA-N11-methoxy-11-oxo-undecanoic acid11-keto-11-methoxy-undecanoic acidNSC-3878311-Methoxy-11-oxoundecanoic acid #
Database identifiers
- CAS
3927-60-4- PubChem CID
- 236356
- DTXSID
DTXSID60284743- Nikkaji
- J122.400J
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 201
Physicochemical properties
- Melting point
- 43 · 43-44 °C
- Boiling point
- 165.5 · 165.5-167.5 °C(Press: 2 Torr)
- Density
- 1.024 · 1.024±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 4.78 · 4.78±0.10(Predicted)
- Appearance
- White to off-white Solid
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers47 total
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
湖北兴琰新材料科技有限公司13129948835 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
上海健超生物科技有限公司15021035486 18081542813 · [email protected]
卡迪亚医药科技有限公司0371-86615086 18203638366 0371-86159066 13526786601
上海马氏化学科技有限公司19916721580 · [email protected]
上海鑫凯化学科技有限公司021-58930698 15921516558 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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