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100883-69-0 | 4H-1-Benzopyran-4-one, 2,3-dihydro-2,2-dimethyl-7-(2-propen-1-yloxy)-
CAS No: 100883-69-0 Catalog No: AG000338 MDL No:MFCD16498200
Product Description
Catalog Number:
AG000338
Chemical Name:
4H-1-Benzopyran-4-one, 2,3-dihydro-2,2-dimethyl-7-(2-propen-1-yloxy)-
CAS Number:
100883-69-0
Molecular Formula:
C14H16O3
Molecular Weight:
232.2750
MDL Number:
MFCD16498200
IUPAC Name:
2,2-dimethyl-7-prop-2-enoxy-3H-chromen-4-one
InChI:
InChI=1S/C14H16O3/c1-4-7-16-10-5-6-11-12(15)9-14(2,3)17-13(11)8-10/h4-6,8H,1,7,9H2,2-3H3
InChI Key:
VNGUHTNKUKMDLQ-UHFFFAOYSA-N
SMILES:
C=CCOc1ccc2c(c1)OC(CC2=O)(C)C
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.11g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.279g/mol
Monoisotopic Mass:
232.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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