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Home > Other Building Blocks > 77092-12-7
77092-12-7 | 4H-1,3-Dioxin-4-one, 2,2-dimethyl-6-phenyl-
CAS No: 77092-12-7 Catalog No: AG00566O MDL No:
Product Description
Catalog Number:
AG00566O
Chemical Name:
4H-1,3-Dioxin-4-one, 2,2-dimethyl-6-phenyl-
CAS Number:
77092-12-7
Molecular Formula:
C12H12O3
Molecular Weight:
204.2219
IUPAC Name:
2,2-dimethyl-6-phenyl-1,3-dioxin-4-one
InChI:
InChI=1S/C12H12O3/c1-12(2)14-10(8-11(13)15-12)9-6-4-3-5-7-9/h3-8H,1-2H3
InChI Key:
XVDIUPDVIULPMF-UHFFFAOYSA-N
SMILES:
O=C1C=C(OC(O1)(C)C)c1ccccc1
Properties
Complexity:
285
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:
0
Isotope Atom Count:
0
Molecular Weight:
204.225g/mol
Monoisotopic Mass:
204.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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