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Home Other Building Blocks 5,5-dimethyl-4,5,6,7-tetrahydro-1-benzofuran-4-one

5,5-dimethyl-4,5,6,7-tetrahydro-1-benzofuran-4-one

CAS No.:
881190-07-4
Catalog Number:
AG01E2G5
Molecular Formula:
C10H12O2
Molecular Weight:
164.2011
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Product Description
Catalog Number:
AG01E2G5
Chemical Name:
5,5-dimethyl-4,5,6,7-tetrahydro-1-benzofuran-4-one
CAS Number:
881190-07-4
Molecular Formula:
C10H12O2
Molecular Weight:
164.2011
MDL Number:
MFCD24711858
IUPAC Name:
5,5-dimethyl-6,7-dihydro-1-benzofuran-4-one
InChI:
InChI=1S/C10H12O2/c1-10(2)5-3-8-7(9(10)11)4-6-12-8/h4,6H,3,5H2,1-2H3
InChI Key:
QFCSPTZWBSTELW-UHFFFAOYSA-N
SMILES:
O=C1c2ccoc2CCC1(C)C
Properties
Complexity:
208  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.084g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.204g/mol
Monoisotopic Mass:
164.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties