Maturone

CAT: 1596-AR-M01104-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-M01104-02Size:25 Units

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CAS Number

29100-83-2

Synonyms

3- (hydroxymethyl) -5-methylnaphtho[2,3-b]furan-4,9-dione; Maturone

Molecular Formula

C14H12O4

Molecular Weight

244.25

API Name

Maturone

Chemical Information

3-(Hydroxymethyl)-5-methylnaphtho[2,3-b]furan-4,9-dione

3-(Hydroxymethyl)-5-methylbenzo[f][1]benzofuran-4,9-dione has been reported in Trichilia martiana with data available.

CAS Number	29100-83-2
PubChem CID	11010115
IUPAC Name	3-(hydroxymethyl)-5-methylbenzo[f][1]benzofuran-4,9-dione
Molecular Formula	C14H10O4
Molecular Weight	242.23
XLogP	1.7
Topological Polar Surface Area	67.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	18
Formal Charge	0
Complexity	378

SMILES

CC1=C2C(=CC=C1)C(=O)C3=C(C2=O)C(=CO3)CO

InChI

InChI=1S/C14H10O4/c1-7-3-2-4-9-10(7)13(17)11-8(5-15)6-18-14(11)12(9)16/h2-4,6,15H,5H2,1H3

InChIKey

KDAMTLGCZPUMAR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 29100-83-2

CID: 11010115

Formula: C14H10O4

MW: 242.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	242.23
XLogP3	1.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	242.05790880
Monoisotopic Mass	242.05790880
Topological Polar Surface Area	67.5 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	378
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