Home Aldehydes 1-phenyl-1H-pyrrole-3-carbaldehyde

1-phenyl-1H-pyrrole-3-carbaldehyde

CAS No.:
120777-22-2
Catalog Number:
AG01AM7X
Molecular Formula:
C11H9NO
Molecular Weight:
171.1953
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Product Description
Catalog Number:
AG01AM7X
Chemical Name:
1-phenyl-1H-pyrrole-3-carbaldehyde
CAS Number:
120777-22-2
Molecular Formula:
C11H9NO
Molecular Weight:
171.1953
MDL Number:
MFCD06797716
IUPAC Name:
1-phenylpyrrole-3-carbaldehyde
InChI:
InChI=1S/C11H9NO/c13-9-10-6-7-12(8-10)11-4-2-1-3-5-11/h1-9H
InChI Key:
BLAZTBDCCWAUMD-UHFFFAOYSA-N
SMILES:
O=Cc1ccn(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:
0
Isotope Atom Count:
0
Molecular Weight:
171.199g/mol
Monoisotopic Mass:
171.068g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties