200,000+ products from a single source!
sales@angenechem.com
127848-71-9 | 9-Anthracenebutanoic acid, 9,10-dihydro-4,5-dihydroxy-2-methyl-γ,10-dioxo-, ethyl ester
CAS No: 127848-71-9 Catalog No: AG000XH2 MDL No:
Product Description
Catalog Number:
AG000XH2
Chemical Name:
9-Anthracenebutanoic acid, 9,10-dihydro-4,5-dihydroxy-2-methyl-γ,10-dioxo-, ethyl ester
CAS Number:
127848-71-9
Molecular Formula:
C21H20O6
Molecular Weight:
368.3799
IUPAC Name:
ethyl 4-(4,5-dihydroxy-2-methyl-10-oxo-9H-anthracen-9-yl)-4-oxobutanoate
InChI:
InChI=1S/C21H20O6/c1-3-27-17(25)8-7-15(23)18-12-5-4-6-14(22)19(12)21(26)20-13(18)9-11(2)10-16(20)24/h4-6,9-10,18,22,24H,3,7-8H2,1-2H3
InChI Key:
IRAGWLLQCZCTSU-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCC(=O)C1c2cccc(c2C(=O)c2c1cc(C)cc2O)O
NSC Number:
641170
Properties
Complexity:
587
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.126g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
368.385g/mol
Monoisotopic Mass:
368.126g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.