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88075-89-2 | 1H-Pyrrole-3-carboxaldehyde, 1-(3,4-dimethoxyphenyl)-
CAS No: 88075-89-2 Catalog No: AG004ERN MDL No:
Product Description
Catalog Number:
AG004ERN
Chemical Name:
1H-Pyrrole-3-carboxaldehyde, 1-(3,4-dimethoxyphenyl)-
CAS Number:
88075-89-2
Molecular Formula:
C13H13NO3
Molecular Weight:
231.2472
IUPAC Name:
1-(3,4-dimethoxyphenyl)pyrrole-3-carbaldehyde
InChI:
InChI=1S/C13H13NO3/c1-16-12-4-3-11(7-13(12)17-2)14-6-5-10(8-14)9-15/h3-9H,1-2H3
InChI Key:
ZEJILEBHJCCVIV-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)n1ccc(c1)C=O
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.09g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.251g/mol
Monoisotopic Mass:
231.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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