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xanthone-2-carboxylic acid(CAS No. 40274-67-7)

xanthone-2-carboxylic acid C14H8O4 (cas 40274-67-7) Molecular Structure

40274-67-7 Structure

Identification and Related Records

【Name】
xanthone-2-carboxylic acid
【Iupac name】
9-oxoxanthene-2-carboxylic acid
【CAS Registry number】
40274-67-7
【Synonyms】
xanthone-2-carboxylic acid
9-OXOXANTHENE-2-CARBOXYLIC ACID
【Molecular Formula】
C14H8O4 (Products with the same molecular formula)
【Molecular Weight】
0
【Inchi】
InChI=1/C14H8O4/c15-13-9-3-1-2-4-11(9)18-12-6-5-8(14(16)17)7-10(12)13/h1-7H,(H,16,17)
【Canonical SMILES】
C1=CC=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O
【MOL File】
40274-67-7.mol

Chemical and Physical Properties

【Density】
1.445g/cm3
【Boiling Point】
483.6°C at 760 mmHg
【Refractive Index】
1.675
【Flash Point】
192.9°C
【Computed Properties】
Molecular Weight:240.21092 [g/mol]
Molecular Formula:C14H8O4
XLogP3:3.1
H-Bond Donor:1
H-Bond Acceptor:4
Rotatable Bond Count:1
Exact Mass:240.042259
MonoIsotopic Mass:240.042259
Topological Polar Surface Area:63.6
Heavy Atom Count:18
Formal Charge:0
Complexity:365
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
Feature 3D Acceptor Count:4
Feature 3D Anion Count:1
Feature 3D Ring Count:3
Effective Rotor Count:1
Conformer Sampling RMSD:0.6
CID Conformer Count:1

Supplier Location

Top Suppliers

Diamond member Hangzhou J&H Chemical Co., Ltd
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-571-87396430
Boc Sciences
Country:United StatesUnited States
Business Type:Manufacturer
Telephone:1-631-5046093

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