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101186-04-3 | Hexanoic acid, 3-hydroxy-5-methyl-2-methylene-, 1-methylethyl ester
CAS No: 101186-04-3 Catalog No: AG0003X7 MDL No:
Product Description
Catalog Number:
AG0003X7
Chemical Name:
Hexanoic acid, 3-hydroxy-5-methyl-2-methylene-, 1-methylethyl ester
CAS Number:
101186-04-3
Molecular Formula:
C11H20O3
Molecular Weight:
200.2747
IUPAC Name:
propan-2-yl 3-hydroxy-5-methyl-2-methylidenehexanoate
InChI:
InChI=1S/C11H20O3/c1-7(2)6-10(12)9(5)11(13)14-8(3)4/h7-8,10,12H,5-6H2,1-4H3
InChI Key:
JFWKXYOLVHKQSE-UHFFFAOYSA-N
SMILES:
CC(CC(C(=C)C(=O)OC(C)C)O)C
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.141g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.278g/mol
Monoisotopic Mass:
200.141g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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