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Home > Aldehydes > 188985-04-8
188985-04-8 | 1H-Pyrrole-1-acetaldehyde, 2,5-dihydro-2,5-dioxo-
CAS No: 188985-04-8 Catalog No: AG002HMW MDL No:
Product Description
Catalog Number:
AG002HMW
Chemical Name:
1H-Pyrrole-1-acetaldehyde, 2,5-dihydro-2,5-dioxo-
CAS Number:
188985-04-8
Molecular Formula:
C6H5NO3
Molecular Weight:
139.1088
IUPAC Name:
2-(2,5-dioxopyrrol-1-yl)acetaldehyde
InChI:
InChI=1S/C6H5NO3/c8-4-3-7-5(9)1-2-6(7)10/h1-2,4H,3H2
InChI Key:
WWORFLNFWXZCBF-UHFFFAOYSA-N
SMILES:
O=CCN1C(=O)C=CC1=O
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.027g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
139.11g/mol
Monoisotopic Mass:
139.027g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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