Home Aldehydes 1H-Pyrrole-2-carboxaldehyde, 3,4-dimethyl-

1H-Pyrrole-2-carboxaldehyde, 3,4-dimethyl-

CAS No.:
19713-89-4
Catalog Number:
AG002ALE
Molecular Formula:
C7H9NO
Molecular Weight:
123.1525
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Product Description
Catalog Number:
AG002ALE
Chemical Name:
1H-Pyrrole-2-carboxaldehyde, 3,4-dimethyl-
CAS Number:
19713-89-4
Molecular Formula:
C7H9NO
Molecular Weight:
123.1525
MDL Number:
MFCD00030344
IUPAC Name:
3,4-dimethyl-1H-pyrrole-2-carbaldehyde
InChI:
InChI=1S/C7H9NO/c1-5-3-8-7(4-9)6(5)2/h3-4,8H,1-2H3
InChI Key:
LRJDGBKOYYAJJF-UHFFFAOYSA-N
SMILES:
O=Cc1[nH]cc(c1C)C
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:
1  
Isotope Atom Count:
0
Molecular Weight:
123.155g/mol
Monoisotopic Mass:
123.068g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties