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23351-05-5 | Benzaldehyde, 4-(1H-pyrrol-1-yl)-
CAS No: 23351-05-5 Catalog No: AG002MXH MDL No:MFCD03822126
Product Description
Catalog Number:
AG002MXH
Chemical Name:
Benzaldehyde, 4-(1H-pyrrol-1-yl)-
CAS Number:
23351-05-5
Molecular Formula:
C11H9NO
Molecular Weight:
171.1953
MDL Number:
MFCD03822126
IUPAC Name:
4-pyrrol-1-ylbenzaldehyde
InChI:
InChI=1S/C11H9NO/c13-9-10-3-5-11(6-4-10)12-7-1-2-8-12/h1-9H
InChI Key:
VMNADOXDGZJTBJ-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)n1cccc1
Properties
Complexity:
167
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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