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(4Z)-4-(azepan-2-ylidene)-2-phenyl-1,3-oxazol-5(4H)-one , CAS No.40051-97-6

CAS: 40051-97-6 Cat. No.: Z982127 Molecular Weight: 256.31 PubChem CID: 3535729
COA
(4Z)-4-(azepan-2-ylidene)-2-phenyl-1,3-oxazol-5(4H)-one - CAS No(40051-97-6) by Aladdin Scientific
AVAILABLE TO ORDER
Storage
Room temperature
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1mg
Z982127-1mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$213.90
5mg
Z982127-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$249.90
10mg
Z982127-10mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$267.90
20mg
Z982127-20mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$302.90
50mg
Z982127-50mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$374.90
100mg
Z982127-100mg
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$463.90
500mg
Z982127-500mg
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$643.90
1g
Z982127-1g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$858.90
5g
Z982127-5g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$1,661.90
10g
Z982127-10g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$2,286.90
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SDS
Safety data
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DS
Datasheet
SP
Spec sheet
Specifications Names and Identifiers Documentation Advanced Data 3D Structure Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews
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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 SmilesC1CCC(=NCC1)C2=C(OC(=N2)C3=CC=CC=C3)O
IUPAC Name2-phenyl-4-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3-oxazol-5-ol
InChIKeyYFBHBDHMCIUTLH-UHFFFAOYSA-N
INCHI1S/C15H16N2O2/c18-15-13(12-9-5-2-6-10-16-12)17-14(19-15)11-7-3-1-4-8-11/h1,3-4,7-8,18H,2,5-6,9-10H2
Isomeric SMILES C1CCC(=NCC1)C2=C(OC(=N2)C3=CC=CC=C3)O
PubChem CID 3535729
Molecular Weight 256.31

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

3D Structure
Interactive Chemical Structure Model





Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight256.300 g/mol
XLogP32.800
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass256.121 Da
Monoisotopic Mass256.121 Da
Topological Polar Surface Area58.600 Ų
Heavy Atom Count19
Formal Charge0
Complexity326.000
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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