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922179-75-7 | Acetaldehyde, 2-(1,5-dihydro-5-oxo-2H-pyrrol-2-ylidene)-, (2Z)-
CAS No: 922179-75-7 Catalog No: AG00620O MDL No:
Product Description
Catalog Number:
AG00620O
Chemical Name:
Acetaldehyde, 2-(1,5-dihydro-5-oxo-2H-pyrrol-2-ylidene)-, (2Z)-
CAS Number:
922179-75-7
Molecular Formula:
C6H5NO2
Molecular Weight:
123.1094
IUPAC Name:
2-(5-oxopyrrol-2-ylidene)acetaldehyde
InChI:
InChI=1S/C6H5NO2/c8-4-3-5-1-2-6(9)7-5/h1-4H,(H,7,9)
InChI Key:
RNHSCDHXYPKJTL-UHFFFAOYSA-N
SMILES:
O=C/C=C\1/C=CC(=O)N1
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
123.032g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
123.111g/mol
Monoisotopic Mass:
123.032g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
-0.6
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