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17619-39-5 | 1H-Pyrrole-3-carboxaldehyde, 2-methyl-
CAS No: 17619-39-5 Catalog No: AG0024GS MDL No:
Product Description
Catalog Number:
AG0024GS
Chemical Name:
1H-Pyrrole-3-carboxaldehyde, 2-methyl-
CAS Number:
17619-39-5
Molecular Formula:
C6H7NO
Molecular Weight:
109.1259
IUPAC Name:
2-methyl-1H-pyrrole-3-carbaldehyde
InChI:
InChI=1S/C6H7NO/c1-5-6(4-8)2-3-7-5/h2-4,7H,1H3
InChI Key:
JDFRRHGHHDDVOP-UHFFFAOYSA-N
SMILES:
Cc1c(C=O)cc[nH]1
Properties
Complexity:
92.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
109.053g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
109.128g/mol
Monoisotopic Mass:
109.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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