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80991-83-9 | 1(3H)-Isobenzofuranone, 3-(butylimino)-
CAS No: 80991-83-9 Catalog No: AG005HT5 MDL No:
Product Description
Catalog Number:
AG005HT5
Chemical Name:
1(3H)-Isobenzofuranone, 3-(butylimino)-
CAS Number:
80991-83-9
Molecular Formula:
C12H13NO2
Molecular Weight:
203.2371
IUPAC Name:
3-butylimino-2-benzofuran-1-one
InChI:
InChI=1S/C12H13NO2/c1-2-3-8-13-11-9-6-4-5-7-10(9)12(14)15-11/h4-7H,2-3,8H2,1H3
InChI Key:
CGZSZOTUOVGLLA-UHFFFAOYSA-N
SMILES:
CCCCN=C1OC(=O)c2c1cccc2
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.241g/mol
Monoisotopic Mass:
203.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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