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13830-90-5 | 3-Furancarboxylic acid, 4-(bromomethyl)-2,5-dihydro-2-oxo-
CAS No: 13830-90-5 Catalog No: AG0018H9 MDL No:
Product Description
Catalog Number:
AG0018H9
Chemical Name:
3-Furancarboxylic acid, 4-(bromomethyl)-2,5-dihydro-2-oxo-
CAS Number:
13830-90-5
Molecular Formula:
C6H5BrO4
Molecular Weight:
221.0055
IUPAC Name:
3-(bromomethyl)-5-oxo-2H-furan-4-carboxylic acid
InChI:
InChI=1S/C6H5BrO4/c7-1-3-2-11-6(10)4(3)5(8)9/h1-2H2,(H,8,9)
InChI Key:
YEBOVIOLUAZTJJ-UHFFFAOYSA-N
SMILES:
BrCC1=C(C(=O)O)C(=O)OC1
NSC Number:
138482
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.937g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.006g/mol
Monoisotopic Mass:
219.937g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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