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177944-34-2 | Hydroperoxide, 1-methylethenyl (9CI)
CAS No: 177944-34-2 Catalog No: AG0025MZ MDL No:
Product Description
Catalog Number:
AG0025MZ
Chemical Name:
Hydroperoxide, 1-methylethenyl (9CI)
CAS Number:
177944-34-2
Molecular Formula:
C3H6O2
Molecular Weight:
74.0785
IUPAC Name:
2-hydroperoxyprop-1-ene
InChI:
InChI=1S/C3H6O2/c1-3(2)5-4/h4H,1H2,2H3
InChI Key:
BKMVYAGOHSKLMQ-UHFFFAOYSA-N
SMILES:
CC(=C)OO
Properties
Complexity:
40.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
74.037g/mol
Formal Charge:
0
Heavy Atom Count:
5
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
74.079g/mol
Monoisotopic Mass:
74.037g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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