8-Methoxy-6,7-methylenedioxycoumarin

8-Methoxy-6,7-methylenedioxycoumarin
Compound Structure:
Synonyms: 8-Methoxy-6,7-methylenedioxycoumarin;6,7-methylenedioxy-8-methoxycoumarin;4-methoxy-[1,3]dioxolo[4,5-g]chromen-6-one;4-methoxy-2H,6H-[1,3]dioxolo[4,5-g]chromen-6-one;4-Methoxy-6H-1,3-dioxolo[4,5-g][1]benzopyran-6-one
Compound ID: NMPC-503
PubChem ID:

13704005
Molecular Formula: C11H8O5
Canonical SMILES: COC1=C2C(=CC3=C1OCO3)C=CC(=O)O2
InChIKey: GDJFGAQXNUYMPM-UHFFFAOYSA-N
About the compound:
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

220.18 g/mol

XLogP3-AA

1.7

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

5

Rotatable Bond Count

1

Exact Mass

220.03717335 g/mol

Monoisotopic Mass

220.03717335 g/mol

Topological Polar Surface Area

54Ų

Heavy Atom Count

16

Formal Charge

0

Complexity

326

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Physical Description

Solid

Melting Point

200 - 202 °C

Source: PubChem                                                         
Source Species: Crassocephalum rubens
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