Cycloheptylbenzene

HCID 297933
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Basic information

CAS
4401-18-7
Standard SMILES
c1ccc(C2CCCCCC2)cc1
InChIKey
ZQFWLIVWPCXOQT-UHFFFAOYSA-N
Molecular formula
C13H18
Average molar mass
174.28 g/mol
Monoisotopic mass
174.14085058

Names & identifiers

Preferred name
Cycloheptylbenzene
IUPAC
phenylcycloheptane

Names & synonyms

cycloheptylbenzeneDTXSID50305153RefChem:1082460DTXCID20256284Phenylcycloheptane4401-18-7NSC169438Cycloheptane, phenyl-SCHEMBL447031SCHEMBL447032SCHEMBL5543159SCHEMBL7838054
Show more names
SCHEMBL9068405SCHEMBL10405997SCHEMBL11484818SCHEMBL16048164SCHEMBL23071376ZQFWLIVWPCXOQT-UHFFFAOYSA-ZQFWLIVWPCXOQT-UHFFFAOYSA-NNSC-169438

Database identifiers

CAS
4401-18-7
PubChem CID
297933
DTXSID
DTXSID50305153
Nikkaji
J80.818K

Properties

Computed structural properties

XLogP
5.4
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
1
Heavy atoms
13

Related reactions

3 records
New reaction record

Compound notes

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