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56448-22-7 | 5-Phenyl-1H-pyrrole-3-carboxaldehyde
CAS No: 56448-22-7 Catalog No: AG003AWC MDL No:
Product Description
Catalog Number:
AG003AWC
Chemical Name:
5-Phenyl-1H-pyrrole-3-carboxaldehyde
CAS Number:
56448-22-7
Molecular Formula:
C11H9NO
Molecular Weight:
171.1953
IUPAC Name:
5-phenyl-1H-pyrrole-3-carbaldehyde
InChI:
InChI=1S/C11H9NO/c13-8-9-6-11(12-7-9)10-4-2-1-3-5-10/h1-8,12H
InChI Key:
CXRIBBUJKKGAGS-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]c(c1)c1ccccc1
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.068g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
171.199g/mol
Monoisotopic Mass:
171.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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