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925890-17-1

925890-17-1 | 2,3,6,7-TETRAMETHYL-NAPHTHALENE-1,4-DICARBOXYLIC ACID

CAS No: 925890-17-1 Catalog No: AG006GMK MDL No:

Product Description

Catalog Number:
AG006GMK
Chemical Name:
2,3,6,7-TETRAMETHYL-NAPHTHALENE-1,4-DICARBOXYLIC ACID
CAS Number:
925890-17-1
Molecular Formula:
C16H16O4
Molecular Weight:
272.2958
IUPAC Name:
2,3,6,7-tetramethylnaphthalene-1,4-dicarboxylic acid
InChI:
InChI=1S/C16H16O4/c1-7-5-11-12(6-8(7)2)14(16(19)20)10(4)9(3)13(11)15(17)18/h5-6H,1-4H3,(H,17,18)(H,19,20)
InChI Key:
OAAOTXWEJJTSPN-UHFFFAOYSA-N
SMILES:
Cc1cc2c(cc1C)c(C(=O)O)c(c(c2C(=O)O)C)C

Properties

Complexity:
367  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.105g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
272.3g/mol
Monoisotopic Mass:
272.105g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  

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