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92763-72-9 | 1H-Pyrrole-3,4-dicarboxaldehyde, 1-(phenylmethyl)-
CAS No: 92763-72-9 Catalog No: AG00614S MDL No:
Product Description
Catalog Number:
AG00614S
Chemical Name:
1H-Pyrrole-3,4-dicarboxaldehyde, 1-(phenylmethyl)-
CAS Number:
92763-72-9
Molecular Formula:
C13H11NO2
Molecular Weight:
213.2319
IUPAC Name:
1-benzylpyrrole-3,4-dicarbaldehyde
InChI:
InChI=1S/C13H11NO2/c15-9-12-7-14(8-13(12)10-16)6-11-4-2-1-3-5-11/h1-5,7-10H,6H2
InChI Key:
QBLHFWJPNYVFPL-UHFFFAOYSA-N
SMILES:
O=Cc1cn(cc1C=O)Cc1ccccc1
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.079g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.236g/mol
Monoisotopic Mass:
213.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
39.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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