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894421-87-5 | Propaneperoxoic acid, 3-methoxy-
CAS No: 894421-87-5 Catalog No: AG0044JQ MDL No:
Product Description
Catalog Number:
AG0044JQ
Chemical Name:
Propaneperoxoic acid, 3-methoxy-
CAS Number:
894421-87-5
Molecular Formula:
C4H8O4
Molecular Weight:
120.1039
IUPAC Name:
3-methoxypropaneperoxoic acid
InChI:
InChI=1S/C4H8O4/c1-7-3-2-4(5)8-6/h6H,2-3H2,1H3
InChI Key:
QLCMJLPKWZWBEI-UHFFFAOYSA-N
SMILES:
COCCC(=O)OO
Properties
Complexity:
70.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
120.042g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
120.104g/mol
Monoisotopic Mass:
120.042g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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