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1193-59-5

1193-59-5 | 1H-Pyrrole-2-carboxaldehyde, 1,5-dimethyl-

CAS No: 1193-59-5 Catalog No: AG000IK4 MDL No:MFCD09674938

Product Description

Catalog Number:
AG000IK4
Chemical Name:
1H-Pyrrole-2-carboxaldehyde, 1,5-dimethyl-
CAS Number:
1193-59-5
Molecular Formula:
C7H9NO
Molecular Weight:
123.1525
MDL Number:
MFCD09674938
IUPAC Name:
1,5-dimethylpyrrole-2-carbaldehyde
InChI:
InChI=1S/C7H9NO/c1-6-3-4-7(5-9)8(6)2/h3-5H,1-2H3
InChI Key:
VARKINVTPLTZMI-UHFFFAOYSA-N
SMILES:
Cn1c(C=O)ccc1C

Properties

Complexity:
114  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
123.068g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
123.155g/mol
Monoisotopic Mass:
123.068g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  

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