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113793-46-7 | 1(3H)-Isobenzofuranone, 7-(2-diazoacetyl)-
CAS No: 113793-46-7 Catalog No: AG0009PJ MDL No:
Product Description
Catalog Number:
AG0009PJ
Chemical Name:
1(3H)-Isobenzofuranone, 7-(2-diazoacetyl)-
CAS Number:
113793-46-7
Molecular Formula:
C10H6N2O3
Molecular Weight:
202.1662
IUPAC Name:
7-(2-diazoacetyl)-3H-2-benzofuran-1-one
InChI:
InChI=1S/C10H6N2O3/c11-12-4-8(13)7-3-1-2-6-5-15-10(14)9(6)7/h1-4H,5H2
InChI Key:
ZFLMZXNBDXVUQP-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=CC(=O)c1cccc2c1C(=O)OC2
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.038g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.169g/mol
Monoisotopic Mass:
202.038g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.1
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