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88692-19-7 | 1H-Pyrrole-2-carboxaldehyde, 5-nitroso-
CAS No: 88692-19-7 Catalog No: AG0047NS MDL No:
Product Description
Catalog Number:
AG0047NS
Chemical Name:
1H-Pyrrole-2-carboxaldehyde, 5-nitroso-
CAS Number:
88692-19-7
Molecular Formula:
C5H4N2O2
Molecular Weight:
124.0975
IUPAC Name:
5-nitroso-1H-pyrrole-2-carbaldehyde
InChI:
InChI=1S/C5H4N2O2/c8-3-4-1-2-5(6-4)7-9/h1-3,6H
InChI Key:
GUDOOXJCTPDJLH-UHFFFAOYSA-N
SMILES:
O=Cc1ccc([nH]1)N=O
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.027g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
124.099g/mol
Monoisotopic Mass:
124.027g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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