Basic information
- CAS
1070-13-9- Standard SMILES
C=C(C=O)CCC- InChIKey
RTTWLTLNKLTUJR-UHFFFAOYSA-N- Molecular formula
- C6H10O
- Average molar mass
- 98.14 g/mol
- Monoisotopic mass
- 98.07316494
Names & identifiers
- Preferred name
- 2-Methylenepentanal
- IUPAC
- 2-methylidenepentanal
- English name
- 2-PROPYLACROLEIN
- Molecular formula
- C6H10O
- Molecular weight
- 98.14
Names & synonyms
2-Propylacrolein1070-13-92-MethylenepentanalPentanal, 2-methylene-Valeraldehyde, 2-methylene-J58BUB22P5DTXSID40147862RefChem:89315DTXCID1070353213-971-22-methylidenepentanalalpha-Propylacrolein
Show more names
2-Propylacrylaldehyde2-methylene-valeraldehyd
2-MethylenevaleraldehydeCCRIS 4931EINECS 213-971-22-propylac-rolein2-methylene pentanal2-methylene-pentanalPropylacrolein, 2-2-methylene valeraldehyde
Database identifiers
- CAS
1070-13-9- PubChem CID
- 70609
- DTXSID
DTXSID40147862- UNII
- J58BUB22P5
- EC Number
- 213-971-2
- Nikkaji
- J217.182A
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 74.2
Physicochemical properties
- LogP
- 1.61 · 1.610 (est)
- FDA UNII
- 58 BUB22P5 · J58BUB22P5
Chemistry & industry
Suppliers6 total
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
BOC Sciences[email protected]
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
济南尚博生物科技有限公司+8615866703830 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
7 records
Compound notes
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