Home Nitriles 2-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)acetonitrile

2-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)acetonitrile

CAS No.:
1087792-37-7
Catalog Number:
AG019MXJ
Molecular Formula:
C9H10N2O
Molecular Weight:
162.1885
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Product Description
Catalog Number:
AG019MXJ
Chemical Name:
2-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)acetonitrile
CAS Number:
1087792-37-7
Molecular Formula:
C9H10N2O
Molecular Weight:
162.1885
MDL Number:
MFCD11099578
IUPAC Name:
2-(3-formyl-2,5-dimethylpyrrol-1-yl)acetonitrile
InChI:
InChI=1S/C9H10N2O/c1-7-5-9(6-12)8(2)11(7)4-3-10/h5-6H,4H2,1-2H3
InChI Key:
DQYBGDNUCFYOCC-UHFFFAOYSA-N
SMILES:
N#CCn1c(C)cc(c1C)C=O
Properties
Complexity:
218  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.079g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.192g/mol
Monoisotopic Mass:
162.079g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties