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10234-40-9 | Ethanol, 2,2'-[1,2-phenylenebis(oxy)]bis-
CAS No: 10234-40-9 Catalog No: AG00078R MDL No:MFCD00142719
Product Description
Catalog Number:
AG00078R
Chemical Name:
Ethanol, 2,2'-[1,2-phenylenebis(oxy)]bis-
CAS Number:
10234-40-9
Molecular Formula:
C10H14O4
Molecular Weight:
198.2158
MDL Number:
MFCD00142719
IUPAC Name:
2-[2-(2-hydroxyethoxy)phenoxy]ethanol
InChI:
InChI=1S/C10H14O4/c11-5-7-13-9-3-1-2-4-10(9)14-8-6-12/h1-4,11-12H,5-8H2
InChI Key:
JWTDCPGVNRBTKT-UHFFFAOYSA-N
SMILES:
OCCOc1ccccc1OCCO
EC Number:
600-304-9
Properties
Complexity:
124
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.089g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
198.218g/mol
Monoisotopic Mass:
198.089g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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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