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183562-28-9 | 5-Hexenoic acid, 2-hydroxy-5-methyl-4-methylene-, methyl ester
CAS No: 183562-28-9 Catalog No: AG0027OS MDL No:
Product Description
Catalog Number:
AG0027OS
Chemical Name:
5-Hexenoic acid, 2-hydroxy-5-methyl-4-methylene-, methyl ester
CAS Number:
183562-28-9
Molecular Formula:
C9H14O3
Molecular Weight:
170.2057
IUPAC Name:
methyl 2-hydroxy-5-methyl-4-methylidenehex-5-enoate
InChI:
InChI=1S/C9H14O3/c1-6(2)7(3)5-8(10)9(11)12-4/h8,10H,1,3,5H2,2,4H3
InChI Key:
JTUGDRHLGFBOLF-UHFFFAOYSA-N
SMILES:
COC(=O)C(CC(=C)C(=C)C)O
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.094g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
170.208g/mol
Monoisotopic Mass:
170.094g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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