1H-Tetrazole-1-dodecanoic acid

HCID 454101

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Basic information

CAS: 117027-70-0
Standard SMILES: O=C(O)CCCCCCCCCCCn1cnnn1
InChIKey: XIKUMHJOFWAQKH-UHFFFAOYSA-N
Molecular formula: C13H24N4O2
Average molar mass: 268.36 g/mol
Monoisotopic mass: 268.18992602

Names & identifiers

Preferred name: 1H-Tetrazole-1-dodecanoic acid
IUPAC: 12-(tetrazol-1-yl)dodecanoic acid

Names & synonyms

117027-70-012Tetrazollauric acid1H-Tetrazole-1-dodecanoic acid12-(tetrazol-1-yl)dodecanoic acid12-(1-Tetrazolyl)lauric acidDTXSID103323891-TET-1212-(1H-Tetrazol-1-yl)dodecanoic acid

Database identifiers

CAS: 117027-70-0
PubChem CID: 454101
DTXSID: DTXSID10332389

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 80.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 12
Heavy atoms: 19
Formal charge: 0
Complexity: 239

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