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114182-94-4 | 2-Furanol, 5-(bromomethyl)tetrahydro-
CAS No: 114182-94-4 Catalog No: AG000AQ8 MDL No:
Product Description
Catalog Number:
AG000AQ8
Chemical Name:
2-Furanol, 5-(bromomethyl)tetrahydro-
CAS Number:
114182-94-4
Molecular Formula:
C5H9BrO2
Molecular Weight:
181.0278
IUPAC Name:
5-(bromomethyl)oxolan-2-ol
InChI:
InChI=1S/C5H9BrO2/c6-3-4-1-2-5(7)8-4/h4-5,7H,1-3H2
InChI Key:
YCWGUHNTCUOMTQ-UHFFFAOYSA-N
SMILES:
OC1CCC(O1)CBr
Properties
Complexity:
76.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.979g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.029g/mol
Monoisotopic Mass:
179.979g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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