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88075-92-7 | 1H-Pyrrole-3-carboxaldehyde, 1-(4-methoxyphenyl)-
CAS No: 88075-92-7 Catalog No: AG008CW5 MDL No:MFCD07381318
Product Description
Catalog Number:
AG008CW5
Chemical Name:
1H-Pyrrole-3-carboxaldehyde, 1-(4-methoxyphenyl)-
CAS Number:
88075-92-7
Molecular Formula:
C12H11NO2
Molecular Weight:
201.2212
MDL Number:
MFCD07381318
IUPAC Name:
1-(4-methoxyphenyl)pyrrole-3-carbaldehyde
InChI:
InChI=1S/C12H11NO2/c1-15-12-4-2-11(3-5-12)13-7-6-10(8-13)9-14/h2-9H,1H3
InChI Key:
LTHOBNHCLJNXEL-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)n1ccc(c1)C=O
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.225g/mol
Monoisotopic Mass:
201.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
31.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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