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78212-37-0 | 1,3,5-TRIMETHYL-1H-PYRROLE-2-CARBALDEHYDE
CAS No: 78212-37-0 Catalog No: AG01E13V MDL No:MFCD19300838
Product Description
Catalog Number:
AG01E13V
Chemical Name:
1,3,5-TRIMETHYL-1H-PYRROLE-2-CARBALDEHYDE
CAS Number:
78212-37-0
Molecular Formula:
C8H11NO
Molecular Weight:
137.1790
MDL Number:
MFCD19300838
IUPAC Name:
1,3,5-trimethylpyrrole-2-carbaldehyde
InChI:
InChI=1S/C8H11NO/c1-6-4-7(2)9(3)8(6)5-10/h4-5H,1-3H3
InChI Key:
ZLHCGLGZSOFCTN-UHFFFAOYSA-N
SMILES:
O=Cc1c(C)cc(n1C)C
Properties
Complexity:
135
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.084g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
137.182g/mol
Monoisotopic Mass:
137.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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