CAS 78213-30-6 | 1(3H)-Isobenzofuranone,6-hydroxy-7-methoxy- | CAS Number 78213-30-6

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78213-30-6 | 1(3H)-Isobenzofuranone,6-hydroxy-7-methoxy-

CAS No: 78213-30-6 Catalog No: AG005D0B MDL No:

Product Description

Catalog Number:

AG005D0B

Chemical Name:

1(3H)-Isobenzofuranone,6-hydroxy-7-methoxy-

CAS Number:

78213-30-6

Molecular Formula:

C9H8O4

Molecular Weight:

180.1574

IUPAC Name:

6-hydroxy-7-methoxy-3H-2-benzofuran-1-one

InChI:

InChI=1S/C9H8O4/c1-12-8-6(10)3-2-5-4-13-9(11)7(5)8/h2-3,10H,4H2,1H3

InChI Key:

NLRKUCOJGROPHS-UHFFFAOYSA-N

SMILES:

COc1c(O)ccc2c1C(=O)OC2

Properties

Complexity:

216

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

180.042g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

180.159g/mol

Monoisotopic Mass:

180.042g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
Ma-2 paraneoplastic encephalitis in the presence of bilateral testicular cancer: diagnostic and therapeutic approach.	Journal of clinical oncology : official journal of the American Society of Clinical Oncology 20090810
[Advances in neuroimmunological laboratory studies on neuromuscular diseases].	Rinsho byori. The Japanese journal of clinical pathology 20040901