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Home > Aldehydes > 876717-25-8
876717-25-8 | 1-(3-Hydroxy-pyridin-2-yl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde
CAS No: 876717-25-8 Catalog No: AG01EY3B MDL No:
Product Description
Catalog Number:
AG01EY3B
Chemical Name:
1-(3-Hydroxy-pyridin-2-yl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde
CAS Number:
876717-25-8
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
IUPAC Name:
1-(3-hydroxypyridin-2-yl)-2,5-dimethylpyrrole-3-carbaldehyde
InChI:
InChI=1S/C12H12N2O2/c1-8-6-10(7-15)9(2)14(8)12-11(16)4-3-5-13-12/h3-7,16H,1-2H3
InChI Key:
MLDWCVHLNQVNGV-UHFFFAOYSA-N
SMILES:
O=Cc1cc(n(c1C)c1ncccc1O)C
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.24g/mol
Monoisotopic Mass:
216.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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