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87-41-2 | Isobenzofuran-1(3H);-one
CAS No: 87-41-2 Catalog No: AG003TRL MDL No:MFCD00005906
Product Description
Catalog Number:
AG003TRL
Chemical Name:
Isobenzofuran-1(3H);-one
CAS Number:
87-41-2
Molecular Formula:
C8H6O2
Molecular Weight:
134.1320
MDL Number:
MFCD00005906
IUPAC Name:
3H-2-benzofuran-1-one
InChI:
InChI=1S/C8H6O2/c9-8-7-4-2-1-3-6(7)5-10-8/h1-4H,5H2
InChI Key:
WNZQDUSMALZDQF-UHFFFAOYSA-N
SMILES:
O=C1OCc2c1cccc2
UNII:
8VV922U86J
NSC Number:
1469
FEMA Number:
4195
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
134.037g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
134.134g/mol
Monoisotopic Mass:
134.037g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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