Einecs 303-502-0

HCID 44147656

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Basic information

CAS: 94200-26-7
Standard SMILES: CN(C)C1CCCCC1.O=C(O)C1CC=CCC1C(=O)O
InChIKey: SDJXJPLELYVZRA-UHFFFAOYSA-N
Molecular formula: C16H27NO4
Average molar mass: 297.39 g/mol
Monoisotopic mass: 297.19400834

Names & identifiers

Preferred name: Einecs 303-502-0
IUPAC: cyclohex-4-ene-1,2-dicarboxylic acid;N,N-dimethylcyclohexanamine

Names & synonyms

EINECS 303-502-094200-26-7Cyclohex-4-ene-1,2-dicarboxylic acid, compound with N,N-dimethylcyclohexylamineDTXSID90916181NS00092594Cyclohex-4-ene-1,2-dicarboxylic acid--N,N-dimethylcyclohexanamine (1/1)

Database identifiers

CAS: 94200-26-7
PubChem CID: 44147656
DTXSID: DTXSID90916181
EC Number: 303-502-0

Properties

Computed structural properties

Topological polar surface area: 77.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 21
Formal charge: 0
Complexity: 280

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