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88063-90-5 | 4-Hexene-1,3-dione, 5-hydroxy-1-phenyl-, (E)-
CAS No: 88063-90-5 Catalog No: AG004FFP MDL No:
Product Description
Catalog Number:
AG004FFP
Chemical Name:
4-Hexene-1,3-dione, 5-hydroxy-1-phenyl-, (E)-
CAS Number:
88063-90-5
Molecular Formula:
C12H12O3
Molecular Weight:
204.2219
IUPAC Name:
3-hydroxy-1-phenylhex-3-ene-1,5-dione
InChI:
InChI=1S/C12H12O3/c1-9(13)7-11(14)8-12(15)10-5-3-2-4-6-10/h2-7,14H,8H2,1H3
InChI Key:
XAUGUCAZZFEKFZ-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)CC(=O)/C=C(/O)\C
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.225g/mol
Monoisotopic Mass:
204.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.7
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