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14113-01-0 | Octanedioic acid, 1-ethyl ester
CAS No: 14113-01-0 Catalog No: AG001FYZ MDL No:
Product Description
Catalog Number:
AG001FYZ
Chemical Name:
Octanedioic acid, 1-ethyl ester
CAS Number:
14113-01-0
Molecular Formula:
C10H17O4-
Molecular Weight:
201.2396
IUPAC Name:
8-ethoxy-8-oxooctanoic acid
InChI:
InChI=1S/C10H18O4/c1-2-14-10(13)8-6-4-3-5-7-9(11)12/h2-8H2,1H3,(H,11,12)
InChI Key:
KCFVQEAPUOVXTH-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCCCCC(=O)[O-]
EC Number:
237-968-0
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.121g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
202.25g/mol
Monoisotopic Mass:
202.121g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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