6-Methyl-6-heptenoic acid
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Basic information
- CAS
5212-67-9- Standard SMILES
C=C(C)CCCCC(=O)O- InChIKey
LLEPSQPKESZELY-UHFFFAOYSA-N- Molecular formula
- C8H14O2
- Average molar mass
- 142.2 g/mol
- Monoisotopic mass
- 142.09937969
Names & identifiers
- Preferred name
- 6-Methyl-6-heptenoic acid
- IUPAC
- 6-methylhept-6-enoic acid
- English name
- 6-METHYL-6-HEPTENOIC ACID
- Molecular formula
- C8H14O2
- Molecular weight
- 142.2
Names & synonyms
6-METHYL-6-HEPTENOIC ACID5212-67-96-Methylhept-6-enoic acidMFCD022599076-METHYL-6-HEPTENOICACID6-Methyl-hept-6-enoic AcidSCHEMBL2071973DTXSID40600624LLEPSQPKESZELY-UHFFFAOYSA-NAKOS006276031DB-197300F200755
Show more names
6-Heptenoic acid, 6-methyl-
Database identifiers
- CAS
5212-67-9- PubChem CID
- 19853971
- DTXSID
DTXSID40600624
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 127
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 280 · P280-P305+P351+P338-P310
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P280-P305+P351+P338-P310
Related reactions
5 records
Compound notes
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