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75866-91-0 | 4-ACETYL-1-METHYL-1H-PYRROLE-2-CARBOXALDEHYDE
CAS No: 75866-91-0 Catalog No: AG005TXI MDL No:MFCD02179578
Product Description
Catalog Number:
AG005TXI
Chemical Name:
4-ACETYL-1-METHYL-1H-PYRROLE-2-CARBOXALDEHYDE
CAS Number:
75866-91-0
Molecular Formula:
C8H9NO2
Molecular Weight:
151.1626
MDL Number:
MFCD02179578
IUPAC Name:
4-acetyl-1-methylpyrrole-2-carbaldehyde
InChI:
InChI=1S/C8H9NO2/c1-6(11)7-3-8(5-10)9(2)4-7/h3-5H,1-2H3
InChI Key:
OWBXRSMVPDNIEH-UHFFFAOYSA-N
SMILES:
O=Cc1cc(cn1C)C(=O)C
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.063g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
151.165g/mol
Monoisotopic Mass:
151.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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