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10171-38-7 | Methanol, ethoxy- (7CI,8CI,9CI)
CAS No: 10171-38-7 Catalog No: AG0005A1 MDL No:
Product Description
Catalog Number:
AG0005A1
Chemical Name:
Methanol, ethoxy- (7CI,8CI,9CI)
CAS Number:
10171-38-7
Molecular Formula:
C3H8O2
Molecular Weight:
76.0944
IUPAC Name:
ethoxymethanol
InChI:
InChI=1S/C3H8O2/c1-2-5-3-4/h4H,2-3H2,1H3
InChI Key:
RRLWYLINGKISHN-UHFFFAOYSA-N
SMILES:
CCOCO
EC Number:
233-446-1
Properties
Complexity:
14.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
76.052g/mol
Formal Charge:
0
Heavy Atom Count:
5
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
76.095g/mol
Monoisotopic Mass:
76.052g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
Literature
| Title | Journal |
|---|---|
| Mechanism and branching ratios of hydroxy ethers + (*)OH gas phase reactions: relevance of h bond interactions. | The journal of physical chemistry. A 20100722 |
| Characterization of radicals formed following enzymatic reduction of 3-substituted analogues of the hypoxia-selective cytotoxin 3-amino-1,2,4-benzotriazine 1,4-dioxide (tirapazamine). | Journal of the American Chemical Society 20100303 |
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