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Home Carboxys 1,4,5,8-Naphthalenetetracarboxylic dianhydride

1,4,5,8-Naphthalenetetracarboxylic dianhydride

CAS No.:
81-30-1
Catalog Number:
AG0032M5
Molecular Formula:
C14H4O6
Molecular Weight:
268.1780
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
1 week
United States
$13
- +
25g
98%
1 week
United States
$35
- +
100g
98%
1 week
United States
$110
- +
Product Description
Catalog Number:
AG0032M5
Chemical Name:
1,4,5,8-Naphthalenetetracarboxylic 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:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.001g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.18g/mol
Monoisotopic Mass:
268.001g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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
Properties