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79749-57-8

79749-57-8 | 2H-Pyran-2-one, 5,6-dibromotetrahydro-4,4-dimethyl-

CAS No: 79749-57-8 Catalog No: AG005HEH MDL No:

Product Description

Catalog Number:
AG005HEH
Chemical Name:
2H-Pyran-2-one, 5,6-dibromotetrahydro-4,4-dimethyl-
CAS Number:
79749-57-8
Molecular Formula:
C7H10Br2O2
Molecular Weight:
285.9611
IUPAC Name:
5,6-dibromo-4,4-dimethyloxan-2-one
InChI:
InChI=1S/C7H10Br2O2/c1-7(2)3-4(10)11-6(9)5(7)8/h5-6H,3H2,1-2H3
InChI Key:
KBWMTMWPQZMBMN-UHFFFAOYSA-N
SMILES:
BrC1OC(=O)CC(C1Br)(C)C

Properties

Complexity:
179  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.903g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.963g/mol
Monoisotopic Mass:
283.905g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  

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