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1315567-78-2,MFCD22201082
Catalog No.:AA000ZCC

1315567-78-2 | 4-(3-Methyloxetan-3-yl)benzoic acid

This product is typically in stock,please click "Inquire" below or
contact us at [email protected] for pricing and availability information.
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA000ZCC
Chemical Name:
4-(3-Methyloxetan-3-yl)benzoic acid
CAS Number:
1315567-78-2
Molecular Formula:
C11H12O3
Molecular Weight:
192.2112
MDL Number:
MFCD22201082
SMILES:
OC(=O)c1ccc(cc1)C1(C)COC1
Properties
Computed Properties
 
Complexity:
225  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.7  

Downstream Synthesis Route

[1]CurrentPatentAssignee:ROCHEHOLDINGAG-WO2014/64131,2014,A2Locationinpatent:Page/Pagecolumn97;98

Literature
Quotation Request
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SDS
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Tags:1315567-78-2 Molecular Formula|1315567-78-2 MDL|1315567-78-2 SMILES|1315567-78-2 4-(3-Methyloxetan-3-yl)benzoic acid
Catalog No.: AA000ZCC
1315567-78-2,MFCD22201082
1315567-78-2 | 4-(3-Methyloxetan-3-yl)benzoic acid
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: AA000ZCC
Chemical Name: 4-(3-Methyloxetan-3-yl)benzoic acid
CAS Number: 1315567-78-2
Molecular Formula: C11H12O3
Molecular Weight: 192.2112
MDL Number: MFCD22201082
SMILES: OC(=O)c1ccc(cc1)C1(C)COC1
Properties
Complexity: 225  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 14  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.7  
Downstream Synthesis Route
872882-97-8    124-38-9    1315567-78-2 

[1]CurrentPatentAssignee:ROCHEHOLDINGAG-WO2014/64131,2014,A2Locationinpatent:Page/Pagecolumn97;98

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