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102710-70-3 | Butanoic acid, 3-hydroperoxy-3-methyl-2-methylene-, methyl ester
CAS No: 102710-70-3 Catalog No: AG00086S MDL No:
Product Description
Catalog Number:
AG00086S
Chemical Name:
Butanoic acid, 3-hydroperoxy-3-methyl-2-methylene-, methyl ester
CAS Number:
102710-70-3
Molecular Formula:
C7H12O4
Molecular Weight:
160.1678
IUPAC Name:
methyl 3-hydroperoxy-3-methyl-2-methylidenebutanoate
InChI:
InChI=1S/C7H12O4/c1-5(6(8)10-4)7(2,3)11-9/h9H,1H2,2-4H3
InChI Key:
UXFPBYWAPZSFAM-UHFFFAOYSA-N
SMILES:
COC(=O)C(=C)C(OO)(C)C
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.074g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
160.169g/mol
Monoisotopic Mass:
160.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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