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827032-78-0 | 1,1-Cyclobutanedicarboxylicacid, 3-bromo-
CAS No: 827032-78-0 Catalog No: AG0050VL MDL No:
Product Description
Catalog Number:
AG0050VL
Chemical Name:
1,1-Cyclobutanedicarboxylicacid, 3-bromo-
CAS Number:
827032-78-0
Molecular Formula:
C6H7BrO4
Molecular Weight:
223.0214
IUPAC Name:
3-bromocyclobutane-1,1-dicarboxylic acid
InChI:
InChI=1S/C6H7BrO4/c7-3-1-6(2-3,4(8)9)5(10)11/h3H,1-2H2,(H,8,9)(H,10,11)
InChI Key:
LTDLFBABDAEPPQ-UHFFFAOYSA-N
SMILES:
BrC1CC(C1)(C(=O)O)C(=O)O
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.953g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
223.022g/mol
Monoisotopic Mass:
221.953g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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