Home Other Building Blocks 1013112-48-5
1013112-48-5,MFCD24678322
Catalog No.:AA000446
1013112-48-5 | 2-Formyl-4,5-dimethoxybenzonitrile
This product is typically in stock,please click "Inquire" below or
contact us at sales@aablocks.com for pricing and availability information.
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA000446
Chemical Name:
2-Formyl-4,5-dimethoxybenzonitrile
CAS Number:
1013112-48-5
Molecular Formula:
C10H9NO3
Molecular Weight:
191.1834
MDL Number:
MFCD24678322
IUPAC Name:
2-formyl-4,5-dimethoxybenzonitrile
InChI:
InChI=1S/C10H9NO3/c1-13-9-3-7(5-11)8(6-12)4-10(9)14-2/h3-4,6H,1-2H3
InChI Key:
YNEXSTHJDYEIIP-UHFFFAOYSA-N
SMILES:
COc1cc(C#N)c(cc1OC)C=O
Properties
Computed Properties
 
Complexity:
245  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.058g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.186g/mol
Monoisotopic Mass:
191.058g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  

Synonyms
 
2-formyl-4,5-dimethoxybenzonitrile 
1013112-48-5 
AK316899 
DS-11469 
4,5-Dimethoxy-2-formylbenzonitrile 
SCHEMBL585015 
KS-00000SPU 
YNEXSTHJDYEIIP-UHFFFAOYSA-N 
MFCD24678322 
AKOS027250596 
ZINC114153111 
Benzonitrile, 2-formyl-4,5-dimethoxy- 
Literature
Quotation Request
Company Name:
*
Contact Person:
*
Email:
*
Quantity Required:
*
Additional Info:
Q & A