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173460-34-9 | Methanol, 1-hydroperoxy-, 1-formate
CAS No: 173460-34-9 Catalog No: AG001YX6 MDL No:
Product Description
Catalog Number:
AG001YX6
Chemical Name:
Methanol, 1-hydroperoxy-, 1-formate
CAS Number:
173460-34-9
Molecular Formula:
C2H4O4
Molecular Weight:
92.0508
IUPAC Name:
formic acid;hydroperoxymethanol
InChI:
InChI=1S/CH4O3.CH2O2/c2-1-4-3;2-1-3/h2-3H,1H2;1H,(H,2,3)
InChI Key:
MAHIEQJLOLAAFS-UHFFFAOYSA-N
SMILES:
OOCOC=O
Properties
Complexity:
17.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
110.022g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
110.065g/mol
Monoisotopic Mass:
110.022g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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