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180404-70-0 | 2(3H)-Furanone, 5-(bromomethyl)dihydro-5-phenyl-
CAS No: 180404-70-0 Catalog No: AG0021ZO MDL No:
Product Description
Catalog Number:
AG0021ZO
Chemical Name:
2(3H)-Furanone, 5-(bromomethyl)dihydro-5-phenyl-
CAS Number:
180404-70-0
Molecular Formula:
C11H11BrO2
Molecular Weight:
255.1078
IUPAC Name:
5-(bromomethyl)-5-phenyloxolan-2-one
InChI:
InChI=1S/C11H11BrO2/c12-8-11(7-6-10(13)14-11)9-4-2-1-3-5-9/h1-5H,6-8H2
InChI Key:
RFUJMZGLEISPQA-UHFFFAOYSA-N
SMILES:
BrCC1(CCC(=O)O1)c1ccccc1
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.994g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.111g/mol
Monoisotopic Mass:
253.994g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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