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66003-63-2 | 12-Ethoxy-11-methyl-12-oxododecanoic acid
CAS No: 66003-63-2 Catalog No: AG003S5J MDL No:MFCD00191643
Product Description
Catalog Number:
AG003S5J
Chemical Name:
12-Ethoxy-11-methyl-12-oxododecanoic acid
CAS Number:
66003-63-2
Molecular Formula:
C15H28O4
Molecular Weight:
272.3804
MDL Number:
MFCD00191643
IUPAC Name:
12-ethoxy-12-oxododecanoic acid
InChI:
InChI=1S/C14H26O4/c1-2-18-14(17)12-10-8-6-4-3-5-7-9-11-13(15)16/h2-12H2,1H3,(H,15,16)
InChI Key:
VJOPNKODAZUCRH-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(CCCCCCCCCC(=O)O)C
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.183g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.358g/mol
Monoisotopic Mass:
258.183g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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