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88070-96-6 | 2H-Pyran-2-one,6-(bromomethylene)tetrahydro-3-phenyl-, (E)- (9CI)
CAS No: 88070-96-6 Catalog No: AG004KKT MDL No:
Product Description
Catalog Number:
AG004KKT
Chemical Name:
2H-Pyran-2-one,6-(bromomethylene)tetrahydro-3-phenyl-, (E)- (9CI)
CAS Number:
88070-96-6
Molecular Formula:
C12H11BrO2
Molecular Weight:
267.1185
IUPAC Name:
(6Z)-6-(bromomethylidene)-3-phenyloxan-2-one
InChI:
InChI=1S/C12H11BrO2/c13-8-10-6-7-11(12(14)15-10)9-4-2-1-3-5-9/h1-5,8,11H,6-7H2/b10-8-
InChI Key:
MLLMZYDZKVEZEP-NTMALXAHSA-N
SMILES:
BrC=C1CCC(C(=O)O1)c1ccccc1
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
265.994g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.122g/mol
Monoisotopic Mass:
265.994g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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