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247-33-6 | 4H-INDENO[2,1-D]ISOXAZOLE
CAS No: 247-33-6 Catalog No: AG002P2Q MDL No:
Product Description
Catalog Number:
AG002P2Q
Chemical Name:
4H-INDENO[2,1-D]ISOXAZOLE
CAS Number:
247-33-6
Molecular Formula:
C10H7NO
Molecular Weight:
157.1687
IUPAC Name:
4H-indeno[2,1-d][1,2]oxazole
InChI:
InChI=1S/C10H7NO/c1-2-4-9-7(3-1)5-8-6-11-12-10(8)9/h1-4,6H,5H2
InChI Key:
NFTSCUQQJPGNNG-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)c1oncc1C2
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.053g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
157.172g/mol
Monoisotopic Mass:
157.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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