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4-Hydroxy-7-methoxycoumarin

CAT: 0572-TRC-H946275-5GSize: 5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-H946275-5GSize:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
17575-15-4
Hazard Statement
Harmful if swallowed.
Smiles
COc1ccc2C(=CC(=O)Oc2c1)O
Molecular Formula
C10 H8 O4
Molecular Weight
192.17
InChI
InChI=1S/C10H8O4/c1-13-6-2-3-7-8(11)5-10(12)14-9(7)4-6/h2-5,11H,1H3
Additionnal Information
IUPAC name: 4-hydroxy-7-methoxychromen-2-one
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

4-Hydroxy-7-methoxycoumarin
CAS Number17575-15-4
PubChem CID54691408
IUPAC Name4-hydroxy-7-methoxychromen-2-one
Molecular FormulaC10H8O4
Molecular Weight192.17
XLogP1.2
Topological Polar Surface Area55.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count14
Formal Charge0
Complexity271
SMILES
COC1=CC2=C(C=C1)C(=CC(=O)O2)O
InChI
InChI=1S/C10H8O4/c1-13-6-2-3-7-8(11)5-10(12)14-9(7)4-6/h2-5,11H,1H3
InChIKey
MJBHLQMPKBMZSF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Hydroxy-7-methoxycoumarin
CAS: 17575-15-4
CID: 54691408
Formula: C10H8O4
MW: 192.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight192.17
XLogP31.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass192.04225873
Monoisotopic Mass192.04225873
Topological Polar Surface Area55.8 Ų
Heavy Atom Count14
Formal Charge0
Complexity271
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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