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2-Methylazulene , CAS No.769-86-8
주문 가능
Storage
Room temperature
Shipped In
Normal
Why this grade
for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Room temperature Ships Normal 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
보관 조건
Room temperature
배송
Normal
이름과 식별자
정식 스마일
CC1=CC2=CC=CC=CC2=C1
IUPAC Name
2-methylazulene
InChIKey
ZRCFBHGCJAIXIH-UHFFFAOYSA-N
INCHI
1S/C11H10/c1-9-7-10-5-3-2-4-6-11(10)8-9/h2-8H,1H3
이성체 SMILES
CC1=CC2=CC=CC=CC2=C1
PubChem CID
11126379
분자량
142.2
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 →🔬 Specification Sheet
Full quality attributes and acceptance criteria for this grade.
View spec sheet →Advanced Data
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
- Superclass Hydrocarbons
- 분류 Unsaturated hydrocarbons
- Subclass Olefins
- Level5 Cyclic olefins
- Level6 Azulenes
- Level5 Cyclic olefins
- Subclass Olefins
- 분류 Unsaturated hydrocarbons
- Superclass Hydrocarbons
| Kingdom | Organic compounds |
|---|---|
| Superclass | Hydrocarbons |
| 분류 | Unsaturated hydrocarbons |
| Subclass | Olefins |
| Intermediate Tree Nodes | Cyclic olefins |
| Direct Parent | Azulenes |
| Alternative Parents | Aromatic hydrocarbons Polycyclic hydrocarbons |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | Azulene - Aromatic hydrocarbon - Polycyclic hydrocarbon - Aromatic homopolycyclic compound |
| 설명 | This compound belongs to the class of organic compounds known as azulenes. These are polycyclic aromatic compounds containing the azulene skeleton, which consists of the cyclopentadiene ring fused to a cycloheptadiene ring. |
| External Descriptors | Not available |
3D 구조
상호 작용 화학 구조 모델
인증서(CoA, COO, BSE/TSE 및 분석 차트)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
화학 및 물리적 특성
| 분자량 | 142.200 g/mol |
|---|---|
| XLogP3 | 3.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 0 |
| Exact Mass | 142.078 Da |
| Monoisotopic Mass | 142.078 Da |
| Topological Polar Surface Area | 0.000 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 114.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| 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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