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88075-94-9 | 1H-Pyrrole-3-carboxaldehyde, 1-[(3,4-dimethoxyphenyl)methyl]-
CAS No: 88075-94-9 Catalog No: AG004HPN MDL No:
Product Description
Catalog Number:
AG004HPN
Chemical Name:
1H-Pyrrole-3-carboxaldehyde, 1-[(3,4-dimethoxyphenyl)methyl]-
CAS Number:
88075-94-9
Molecular Formula:
C14H15NO3
Molecular Weight:
245.2738
IUPAC Name:
1-[(3,4-dimethoxyphenyl)methyl]pyrrole-3-carbaldehyde
InChI:
InChI=1S/C14H15NO3/c1-17-13-4-3-11(7-14(13)18-2)8-15-6-5-12(9-15)10-16/h3-7,9-10H,8H2,1-2H3
InChI Key:
PJIDUTLPZVTZNK-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)Cn1ccc(c1)C=O
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.105g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.278g/mol
Monoisotopic Mass:
245.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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