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Chemical Product CAS:118227-09-14H-1-Benzopyran-4-one,2-phenyl-, monohydroxy dimethoxy deriv.

CAS:118227-09-1
4H-1-Benzopyran-4-one,2-phenyl-, monohydroxy dimethoxy deriv.

  • CAS No:

    118227-09-1
  • Name:

    4H-1-Benzopyran-4-one,2-phenyl-, monohydroxy dimethoxy deriv.
  • Molecular Formula:

    C17H14 O5
  • Molecular Weight:

    300.3059
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4H-1-Benzopyran-4-one,2-phenyl-, monohydroxy ( CASNO:118227-09-1 )

Identification and Related Records
Name:
4H-1-Benzopyran-4-one,2-phenyl-, monohydroxy dimethoxy deriv.
CAS Registry number:
118227-09-1
Synonyms:
4a-hydroxy-3,8-dimethoxy-2-phenyl-4a,5-dihydro-4h-chromen-4-one
Hydroxydimethoxy flavone
AC1L4OXC
4a-hydroxy-3,8-dimethoxy-2-phenyl-5H-chromen-4-one
AC1Q6D77
AR-1G0393
Molecular Formula:
C17H14 O5
Molecular Weight:
300.3059
Inchi:
InChI=1/C17H16O5/c1-20-12-9-6-10-17(19)15(18)14(21-2)13(22-16(12)17)11-7-4-3-5-8-11/h3-9,19H,10H2,1-2H3
Canonical SMILES:
COC1=C2C(CC=C1)(C(=O)C(=C(O2)C3=CC=CC=C3)OC)O
Chemical and Physical Properties
Density:
1.33g/cm3
Boiling Point:
518.5°Cat760mmHg
Vapour:
1.41E-11mmHg at 25°C
Refractive Index:
1.62
Flash Point:
193.6°C
Computed Properties:
Molecular Weight:300.30594 [g/mol]
Molecular Formula:C17H16O5
XLogP3-AA:2
H-Bond Donor:1
H-Bond Acceptor:5
Rotatable Bond Count:3
Exact Mass:300.099774
MonoIsotopic Mass:300.099774
Topological Polar Surface Area:65
Heavy Atom Count:22
Formal Charge:0
Complexity:566
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:5
Feature 3D Donor Count:1
Feature 3D Ring Count:3
Effective Rotor Count:3.4
Conformer Sampling RMSD:0.6
CID Conformer Count:8
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