Basic information
- CAS
42711-77-3- Standard SMILES
O=C(O)C12CC3CC(CC(I)(C3)C1)C2- InChIKey
VMCNPOBDWYHJAP-UHFFFAOYSA-N- Molecular formula
- C11H15IO2
- Average molar mass
- 306.14 g/mol
- Monoisotopic mass
- 306.01168
Names & identifiers
- Preferred name
- 3-Iodotricyclo(3.3.1.13,7)decane-1-carboxylic acid
- IUPAC
- 3-iodoadamantane-1-carboxylic acid
- English name
- 3-iodoadamantane-1-carboxylic acid
- Molecular formula
- C11H15IO2
- Molecular weight
- 306.14
Names & synonyms
42711-77-3RefChem:10680603-Iodotricyclo(3.3.1.13,7)decane-1-carboxylic acid3-iodoadamantane-1-carboxylic acid1-Iodo-3-adamantanecarboxylic acidBRN 26934923-ADAMANTANECARBOXYLIC ACID, 1-IODO-Tricyclo[3.3.1.13,7]decane-1-carboxylicacid, 3-iodo-SCHEMBL20048169DTXSID10962640Tricyclo[3.3.1.13,7]decane-1-carboxylic acid, 3-iodo-
Database identifiers
- CAS
42711-77-3- PubChem CID
- 39240
- DTXSID
DTXSID10962640
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 286
Physicochemical properties
- Melting point
- 165 °C · 165 °C
- Boiling point
- 377 · 377.0±25.0 °C(Predicted)
- Density
- 1.79 · 1.79±0.1 g/cm3(Predicted)
- pka
- 4.43 · 4.43±0.40(Predicted)
Chemistry & industry
Suppliers11 total
重庆茂环科技有限公司13996103726 · [email protected]
QINGDAO KAIENSI INTERNATIONAL TRADE CO.,LTD.+86-0532-8699-9256 +86-18518128472 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
武汉尚赛光电科技有限公司027-027-87915283 15972929998 · [email protected]
上海丰銮生物科技有限公司13357659136 · [email protected]
雷丁科技0510-85629785 18013409632 · [email protected]
安庆合生药业有限公司0556-5200952 18156626239 · [email protected]
Capot Chemical Co., Ltd+86 (0) 571 85 58 67 18
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
安庆合诚新材料科技有限公司18055625120 · [email protected]
都创（上海）医药科技股份有限公司021-58099077-8041 18601625411 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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