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18020-67-2 | Hexanoic acid, 3-hydroxy-2-methylene-, ethyl ester
CAS No: 18020-67-2 Catalog No: AG0021ST MDL No:
Product Description
Catalog Number:
AG0021ST
Chemical Name:
Hexanoic acid, 3-hydroxy-2-methylene-, ethyl ester
CAS Number:
18020-67-2
Molecular Formula:
C9H16O3
Molecular Weight:
172.2215
IUPAC Name:
ethyl 3-hydroxy-2-methylidenehexanoate
InChI:
InChI=1S/C9H16O3/c1-4-6-8(10)7(3)9(11)12-5-2/h8,10H,3-6H2,1-2H3
InChI Key:
HGZPOAJBEVGZJA-UHFFFAOYSA-N
SMILES:
CCCC(C(=C)C(=O)OCC)O
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.11g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
172.224g/mol
Monoisotopic Mass:
172.11g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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