200,000+ products from a single source!
sales@angenechem.com
160162-39-0 | 2-Naphthalenebutanoic acid, 1,4-dihydro-β,5-dihydroxy-3-methyl-1,4-dioxo-, (βS)-
CAS No: 160162-39-0 Catalog No: AG001RPR MDL No:
Product Description
Catalog Number:
AG001RPR
Chemical Name:
2-Naphthalenebutanoic acid, 1,4-dihydro-β,5-dihydroxy-3-methyl-1,4-dioxo-, (βS)-
CAS Number:
160162-39-0
Molecular Formula:
C15H14O6
Molecular Weight:
290.2681
IUPAC Name:
(3S)-3-hydroxy-4-(5-hydroxy-3-methyl-1,4-dioxonaphthalen-2-yl)butanoic acid
InChI:
InChI=1S/C15H14O6/c1-7-10(5-8(16)6-12(18)19)15(21)9-3-2-4-11(17)13(9)14(7)20/h2-4,8,16-17H,5-6H2,1H3,(H,18,19)/t8-/m0/s1
InChI Key:
MIJQQLCPVSCPSU-QMMMGPOBSA-N
SMILES:
O[C@@H](CC1=C(C)C(=O)c2c(C1=O)cccc2O)CC(=O)O
Properties
Complexity:
506
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
290.079g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
290.271g/mol
Monoisotopic Mass:
290.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.