2-(2-Methylphenyl)octadecanoic acid

HCID 22323937CAS 61490-44-6
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Basic information

Standard SMILES
CCCCCCCCCCCCCCCCC(C(=O)O)c1ccccc1C
InChIKey
NLZSRSJWJKQKPT-UHFFFAOYSA-N
Molecular formula
C25H42O2
Average molar mass
374.6 g/mol
Monoisotopic mass
374.31848058

Names & identifiers

Preferred name
2-(2-Methylphenyl)octadecanoic acid
IUPAC
2-(2-methylphenyl)octadecanoic acid

Names & synonyms

61490-44-62-(2-METHYLPHENYL)OCTADECANOIC ACIDDTXSID70624777RefChem:250912DTXCID90575530tolylstearic acidSCHEMBL6344590

Database identifiers

CAS
61490-44-6
PubChem CID
22323937
DTXSID
DTXSID70624777

Properties

Computed structural properties

XLogP
10.3
Topological polar surface area
37.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
17
Heavy atoms
27

Related reactions

3 records
New reaction record

Linked notes

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