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(2-Oxo-3-phenylcyclohexyl)acetic acid , CAS No.92251-80-4

(2-Oxo-3-phenylcyclohexyl)acetic acid , CAS No.92251-80-4

Name: (2-Oxo-3-phenylcyclohexyl)acetic acid , CAS No.92251-80-4
Brand: Aladdin Scientific
SKU: O1025566
Availability: InStock

CAS: 92251-80-4 Cat. No.: O1025566 Molecular Weight: 232.27 PubChem CID: 3366061

COA

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(2-Oxo-3-phenylcyclohexyl)acetic acid - CAS No(92251-80-4) by Aladdin Scientific

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AVAILABLE TO ORDER

Storage

Room temperature

Specifications Names and Identifiers Documentation Advanced Data 3D Structure Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews

🧪

Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Storage

Room temperature

Names and Identifiers

Canonical Smiles	C1CC2CC(=O)OC2(C(C1)C3=CC=CC=C3)O
IUPAC Name	7a-hydroxy-7-phenyl-3,3a,4,5,6,7-hexahydro-1-benzofuran-2-one
InChIKey	ZMWQOEWNVDTTKC-UHFFFAOYSA-N
INCHI	1S/C14H16O3/c15-13-9-11-7-4-8-12(14(11,16)17-13)10-5-2-1-3-6-10/h1-3,5-6,11-12,16H,4,7-9H2
Isomeric SMILES	C1CC2CC(=O)OC2(C(C1)C3=CC=CC=C3)O
PubChem CID	3366061
Molecular Weight	232.27

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

3D Structure

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	232.270 g/mol
XLogP3	2.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	232.11 Da
Monoisotopic Mass	232.11 Da
Topological Polar Surface Area	54.400 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	292.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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