1-(4-Methoxyphenyl)cyclohexanecarboxylic acid

HCID 81979
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Basic information

CAS
7469-83-2
Standard SMILES
COc1ccc(C2(C(=O)O)CCCCC2)cc1
InChIKey
JKJAJSWMKTWWJS-UHFFFAOYSA-N
Molecular formula
C14H18O3
Average molar mass
234.29 g/mol
Monoisotopic mass
234.12559444

Names & identifiers

Preferred name
1-(4-Methoxyphenyl)cyclohexanecarboxylic acid
IUPAC
1-(4-methoxyphenyl)cyclohexane-1-carboxylic acid
English name
1-(4-METHOXYPHENYL)-1-CYCLOHEXANECARBOXYLIC ACID
Molecular formula
C14H18O3
Molecular weight
234.29

Names & synonyms

7469-83-21-(4-Methoxyphenyl)cyclohexanecarboxylic acid1-(4-Methoxyphenyl)cyclohexane-1-carboxylic acid1-(4-Methoxyphenyl)-1-cyclohexanecarboxylic acidMFCD00001462Cyclohexanecarboxylic acid, 1-(4-methoxyphenyl)-EINECS 231-266-8NSC402220SCHEMBL503877CYCLOHEXANECARBOXYLIC ACID,1-(4-METHOXYPHENYL)-DTXSID10225666ALBB-005984
Show more names
RARECHEM AL BO 11311-(4-Methoxyphenyl)-1-cyclohexanecarboxylic acid,97%1-(4-Mmethoxyphenyl)-1-cyclohexane- carboxylic acid, 97%
SBB048020AKOS005171621AB90947NSC 402220NSC-402220ST096996TS-03309DB-087888

Database identifiers

CAS
7469-83-2
PubChem CID
81979
DTXSID
DTXSID10225666
EC Number
231-266-8
Nikkaji
J278.875F

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
46.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
17

Physicochemical properties

Melting point
172 · 172-177 °C
Boiling point
336.61 °C · 336.61°C (rough estimate)
Density
1.0947 · 1.0947 (rough estimate)
refractive index
1.58 · 1.5800 (estimate)
storage temp.
Sealed in dry,Room Temperature
pka
4.49 · 4.49±0.20(Predicted)

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
safety_code
24/25
hazard_class
IRRITANT
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Suppliers11 total

烟台盛凯伦生物制品有限公司13356901049 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
杭州博洛科生物科技有限公司13757158499; 13757158499 · [email protected]

Related reactions

6 records
New reaction record

Compound notes

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