cis-3-Phenylcyclobutanecarboxylic acid - ≥95% , CAS No.16204-48-1

CAS: 16204-48-1 Cat. No.: C629867 Molecular Weight: 176.21 EC Number: 829-502-5 PubChem CID: 47806
AVAILABLE TO ORDER
GRADE & PURITY ≥95%
Synonyms
KOSJHQBPJQYNTB-UHFFFAOYSA-N | E73618 | AMY20808 | SCHEMBL7388336 | 3-Phenylcyclobutanecarboxylic acid | 3-Phenyl-cyclobutanecarboxylic acid | FT-0750860 | SCHEMBL11665023 | (1s,3s)-3-phenylcyclobutane-1-carboxylic acid | E73619 | PS-18387 | MFCD01734191 |
Storage
Protected from light,Room temperature,Argon charged
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
50mg
C629867-50mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$149.90
250mg
C629867-250mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$517.90
Enter a quantity for the sizes you want to add.
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Why this grade

≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Protected from light,Room temperature,Argon charged Ships Normal Check lot-specific COA for exact specifications.

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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

Synonyms
KOSJHQBPJQYNTB-UHFFFAOYSA-N | E73618 | AMY20808 | SCHEMBL7388336 | 3-Phenylcyclobutanecarboxylic acid | 3-Phenyl-cyclobutanecarboxylic acid | FT-0750860 | SCHEMBL11665023 | (1s, 3s)-3-phenylcyclobutane-1-carboxylic acid | E73619 | PS-18387 | MFCD01734191 |
Specifications & Purity
≥95%
Storage
Protected from light, Room temperature, Argon charged
Shipped In
Normal
Purity
≥95%
Names and Identifiers
Canonical SmilesC1C(CC1C(=O)O)C2=CC=CC=C2
IUPAC Name3-phenylcyclobutane-1-carboxylic acid
InChIKeyKOSJHQBPJQYNTB-UHFFFAOYSA-N
INCHI1S/C11H12O2/c12-11(13)10-6-9(7-10)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,12,13)
Isomeric SMILES C1C(CC1C(=O)O)C2=CC=CC=C2
Alternate CAS 66016-28-2,16204-48-1
PubChem CID 47806
Molecular Weight 176.21

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.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentBenzene and substituted derivatives
Alternative Parents Monocarboxylic acids and derivatives  Carboxylic acids  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Monocyclic benzene moiety - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

2 results found

Lot NumberCertificate TypeDateItem
D2609218Certificate of AnalysisJan 07, 2026 C629867
D2609219Certificate of AnalysisJan 07, 2026 C629867
Chemical and Physical Properties
Sensitivitylight sensitive
Molecular Weight176.210 g/mol
XLogP32.000
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass176.084 Da
Monoisotopic Mass176.084 Da
Topological Polar Surface Area37.300 Ų
Heavy Atom Count13
Formal Charge0
Complexity188.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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