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5985-24-0 | Dimethyl 4-hydroxyisophthalate
CAS No: 5985-24-0 Catalog No: AG003PLH MDL No:MFCD00152444
Product Description
Catalog Number:
AG003PLH
Chemical Name:
Dimethyl 4-hydroxyisophthalate
CAS Number:
5985-24-0
Molecular Formula:
C10H10O5
Molecular Weight:
210.1834
MDL Number:
MFCD00152444
IUPAC Name:
dimethyl 4-hydroxybenzene-1,3-dicarboxylate
InChI:
InChI=1S/C10H10O5/c1-14-9(12)6-3-4-8(11)7(5-6)10(13)15-2/h3-5,11H,1-2H3
InChI Key:
ALBUJVBOIXVVLS-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)C(=O)OC)O
EC Number:
227-803-0
UNII:
M57C256V9R
NSC Number:
109108
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.053g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
210.185g/mol
Monoisotopic Mass:
210.053g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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