CAS 81-30-1 | 1,4,5,8-naphthalenetetracar-boxylic dianhydride | CAS Number 81-30-1

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81-30-1 | 1,4,5,8-naphthalenetetracar-boxylic dianhydride

CAS No: 81-30-1 Catalog No: AG0032M5 MDL No:MFCD00006915

Product Description

Catalog Number:

AG0032M5

Chemical Name:

1,4,5,8-naphthalenetetracar-boxylic dianhydride

CAS Number:

81-30-1

Molecular Formula:

C14H4O6

Molecular Weight:

268.1780

MDL Number:

MFCD00006915

IUPAC Name:

6,13-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone

InChI:

InChI=1S/C14H4O6/c15-11-5-1-2-6-10-8(14(18)20-12(6)16)4-3-7(9(5)10)13(17)19-11/h1-4H

InChI Key:

YTVNOVQHSGMMOV-UHFFFAOYSA-N

SMILES:

O=C1OC(=O)c2c3c1ccc1c3c(cc2)C(=O)OC1=O

EC Number:

201-342-5

UNII:

L56XQD1V6Y

NSC Number:

84241

Properties

Complexity:

446

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

268.001g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

268.18g/mol

Monoisotopic Mass:

268.001g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

86.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9

Literature

Title	Journal
NTCDA-TTF first axial fusion: emergent panchromatic, NIR optical, multi-state redox and high optical contrast photooxidation.	Chemical communications (Cambridge, England) 20120704
Gas phase and bulk ultraviolet photoemission spectroscopy of 3,4,9,10-perylene-tetracarboxylic dianhydride, 1,4,5,8-naphthalene-tetracarboxylic dianhydride, and 1,8-naphthalene-dicarboxylic anhydride.	The Journal of chemical physics 20090721