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202001-83-0 | 1-Oxaspiro[2.5]octa-5,7-dien-4-one, 7-bromo-
CAS No: 202001-83-0 Catalog No: AG0027ZR MDL No:
Product Description
Catalog Number:
AG0027ZR
Chemical Name:
1-Oxaspiro[2.5]octa-5,7-dien-4-one, 7-bromo-
CAS Number:
202001-83-0
Molecular Formula:
C7H5BrO2
Molecular Weight:
201.0174
IUPAC Name:
7-bromo-1-oxaspiro[2.5]octa-5,7-dien-4-one
InChI:
InChI=1S/C7H5BrO2/c8-5-1-2-6(9)7(3-5)4-10-7/h1-3H,4H2
InChI Key:
GTBZZOAZMGLFGO-UHFFFAOYSA-N
SMILES:
BrC1=CC2(C(=O)C=C1)CO2
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.947g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.019g/mol
Monoisotopic Mass:
199.947g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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