Home Other Building Blocks 7-tert-butyl-2,3-dihydro-1-benzofuran-3-one

7-tert-butyl-2,3-dihydro-1-benzofuran-3-one

CAS No.:
1156601-57-8
Catalog Number:
AG01AAA6
Molecular Formula:
C12H14O2
Molecular Weight:
190.2384
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Product Description
Catalog Number:
AG01AAA6
Chemical Name:
7-tert-butyl-2,3-dihydro-1-benzofuran-3-one
CAS Number:
1156601-57-8
Molecular Formula:
C12H14O2
Molecular Weight:
190.2384
MDL Number:
MFCD12187661
IUPAC Name:
7-tert-butyl-1-benzofuran-3-one
InChI:
InChI=1S/C12H14O2/c1-12(2,3)9-6-4-5-8-10(13)7-14-11(8)9/h4-6H,7H2,1-3H3
InChI Key:
HGPYMMGKQVMBIP-UHFFFAOYSA-N
SMILES:
O=C1COc2c1cccc2C(C)(C)C
Properties
Complexity:
239  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.099g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.242g/mol
Monoisotopic Mass:
190.099g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties