Benzaldehyde, 3-(1H-pyrrol-1-yl)-


Chemical Name: Benzaldehyde, 3-(1H-pyrrol-1-yl)-
CAS Number: 129747-77-9
Product Number: AG000TMY(AGN-PC-0KKXLH)
Synonyms:
MDL No:
Molecular Formula: C11H9NO
Molecular Weight: 171.1953

Identification/Properties


Computed Properties
Molecular Weight:
171.199g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
2
Exact Mass:
171.068g/mol
Monoisotopic Mass:
171.068g/mol
Topological Polar Surface Area:
22A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
175
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H319
Precautionary Statements:
P264-P280-P305+P351+P338-P337+P313
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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