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81697-99-6 | 1H-Pyrrole-2,3,5-tricarboxaldehyde
CAS No: 81697-99-6 Catalog No: AG0051BZ MDL No:
Product Description
Catalog Number:
AG0051BZ
Chemical Name:
1H-Pyrrole-2,3,5-tricarboxaldehyde
CAS Number:
81697-99-6
Molecular Formula:
C7H5NO3
Molecular Weight:
151.1195
IUPAC Name:
1H-pyrrole-2,3,5-tricarbaldehyde
InChI:
InChI=1S/C7H5NO3/c9-2-5-1-6(3-10)8-7(5)4-11/h1-4,8H
InChI Key:
VUXRQLMUKQMWRO-UHFFFAOYSA-N
SMILES:
O=Cc1cc(c([nH]1)C=O)C=O
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.027g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
151.121g/mol
Monoisotopic Mass:
151.027g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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