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105335-85-1 | 1H-Perimidine-1-carboxaldehyde, 2,3-dihydro-2-oxo-
CAS No: 105335-85-1 Catalog No: AG007WQG MDL No:
Product Description
Catalog Number:
AG007WQG
Chemical Name:
1H-Perimidine-1-carboxaldehyde, 2,3-dihydro-2-oxo-
CAS Number:
105335-85-1
Molecular Formula:
C12H8N2O2
Molecular Weight:
212.2041
IUPAC Name:
2-oxo-3H-perimidine-1-carbaldehyde
InChI:
InChI=1S/C12H8N2O2/c15-7-14-10-6-2-4-8-3-1-5-9(11(8)10)13-12(14)16/h1-7H,(H,13,16)
InChI Key:
BPEKMPHKTRVXJU-UHFFFAOYSA-N
SMILES:
O=Cn1c(=O)[nH]c2c3c1cccc3ccc2
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.059g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.208g/mol
Monoisotopic Mass:
212.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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