313492-86-3,MFCD00515012
Catalog No.:AA00C84E

313492-86-3 | 2-((1H-1,2,4-Triazol-1-yl)methyl)cyclohexanone

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Technical Information
Catalog Number:
AA00C84E
Chemical Name:
2-((1H-1,2,4-Triazol-1-yl)methyl)cyclohexanone
CAS Number:
313492-86-3
Molecular Formula:
C9H13N3O
Molecular Weight:
179.2190
MDL Number:
MFCD00515012
SMILES:
O=C1CCCCC1Cn1cncn1
Properties
Computed Properties
 
Complexity:
195  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0  
XLogP3:
0.7  

Literature
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SDS
Tags:313492-86-3 Molecular Formula|313492-86-3 MDL|313492-86-3 SMILES|313492-86-3 2-((1H-1,2,4-Triazol-1-yl)methyl)cyclohexanone
Catalog No.: AA00C84E
313492-86-3,MFCD00515012
313492-86-3 | 2-((1H-1,2,4-Triazol-1-yl)methyl)cyclohexanone
This product is typically in stock,please click "Inquire" below or contact us at [email protected]for pricing and availability information.
Inquire
Technical Information
Catalog Number: AA00C84E
Chemical Name: 2-((1H-1,2,4-Triazol-1-yl)methyl)cyclohexanone
CAS Number: 313492-86-3
Molecular Formula: C9H13N3O
Molecular Weight: 179.2190
MDL Number: MFCD00515012
SMILES: O=C1CCCCC1Cn1cncn1
Properties
Complexity: 195  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 13  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 1  
Undefined Bond Stereocenter Count: 0  
XLogP3: 0.7  
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