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Home > Aldehydes > 129747-77-9
129747-77-9 | Benzaldehyde, 3-(1H-pyrrol-1-yl)-
CAS No: 129747-77-9 Catalog No: AG000TMY MDL No:MFCD03086140
Product Description
Catalog Number:
AG000TMY
Chemical Name:
Benzaldehyde, 3-(1H-pyrrol-1-yl)-
CAS Number:
129747-77-9
Molecular Formula:
C11H9NO
Molecular Weight:
171.1953
MDL Number:
MFCD03086140
IUPAC Name:
3-pyrrol-1-ylbenzaldehyde
InChI:
InChI=1S/C11H9NO/c13-9-10-4-3-5-11(8-10)12-6-1-2-7-12/h1-9H
InChI Key:
PALTUANHIBXQMX-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)n1cccc1
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:
2.5
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