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88075-90-5 | 1H-Pyrrole-3-carboxaldehyde, 1-(3,4,5-trimethoxyphenyl)-
CAS No: 88075-90-5 Catalog No: AG004HPO MDL No:
Product Description
Catalog Number:
AG004HPO
Chemical Name:
1H-Pyrrole-3-carboxaldehyde, 1-(3,4,5-trimethoxyphenyl)-
CAS Number:
88075-90-5
Molecular Formula:
C14H15NO4
Molecular Weight:
261.2732
IUPAC Name:
1-(3,4,5-trimethoxyphenyl)pyrrole-3-carbaldehyde
InChI:
InChI=1S/C14H15NO4/c1-17-12-6-11(7-13(18-2)14(12)19-3)15-5-4-10(8-15)9-16/h4-9H,1-3H3
InChI Key:
ZTBXPJWZIUTWPA-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1OC)OC)n1ccc(c1)C=O
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.1g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.277g/mol
Monoisotopic Mass:
261.1g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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