200,000+ products from a single source!
sales@angenechem.com
129095-08-5 | 9H-Xanthene-4-acetic acid, 5,6-dimethyl-9-oxo-, sodium salt (1:1)
CAS No: 129095-08-5 Catalog No: AG000YTW MDL No:
Product Description
Catalog Number:
AG000YTW
Chemical Name:
9H-Xanthene-4-acetic acid, 5,6-dimethyl-9-oxo-, sodium salt (1:1)
CAS Number:
129095-08-5
Molecular Formula:
C17H13NaO4
Molecular Weight:
304.2725
IUPAC Name:
sodium;2-(5,6-dimethyl-9-oxoxanthen-4-yl)acetate
InChI:
InChI=1S/C17H14O4.Na/c1-9-6-7-13-15(20)12-5-3-4-11(8-14(18)19)17(12)21-16(13)10(9)2;/h3-7H,8H2,1-2H3,(H,18,19);/q;+1/p-1
InChI Key:
CUHSZPRXKQDLCJ-UHFFFAOYSA-M
SMILES:
[O-]C(=O)Cc1cccc2c1oc1c(C)c(C)ccc1c2=O.[Na+]
UNII:
C35T92HIZM
Properties
Complexity:
438
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.071g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.277g/mol
Monoisotopic Mass:
304.071g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.