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100976-74-7 | 2-Naphthalenebutanoic acid, 1,2,3,4-tetrahydro-6-methoxy-γ,1-dioxo-
CAS No: 100976-74-7 Catalog No: AG0003D0 MDL No:
Product Description
Catalog Number:
AG0003D0
Chemical Name:
2-Naphthalenebutanoic acid, 1,2,3,4-tetrahydro-6-methoxy-γ,1-dioxo-
CAS Number:
100976-74-7
Molecular Formula:
C15H16O5
Molecular Weight:
276.2845
IUPAC Name:
4-(6-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)-4-oxobutanoic acid
InChI:
InChI=1S/C15H16O5/c1-20-10-3-5-11-9(8-10)2-4-12(15(11)19)13(16)6-7-14(17)18/h3,5,8,12H,2,4,6-7H2,1H3,(H,17,18)
InChI Key:
KSHMLERHMKIIQC-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)CCC(C2=O)C(=O)CCC(=O)O
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.1g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.288g/mol
Monoisotopic Mass:
276.1g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
80.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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