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162133-60-0 | Pentanoic acid, 3-ethoxy-4,4-dimethyl-, ethyl ester
CAS No: 162133-60-0 Catalog No: AG001SS8 MDL No:
Product Description
Catalog Number:
AG001SS8
Chemical Name:
Pentanoic acid, 3-ethoxy-4,4-dimethyl-, ethyl ester
CAS Number:
162133-60-0
Molecular Formula:
C11H22O3
Molecular Weight:
202.2906
IUPAC Name:
ethyl 3-ethoxy-4,4-dimethylpentanoate
InChI:
InChI=1S/C11H22O3/c1-6-13-9(11(3,4)5)8-10(12)14-7-2/h9H,6-8H2,1-5H3
InChI Key:
CIAUATNTGCGFGD-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(C(C)(C)C)OCC
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.157g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.294g/mol
Monoisotopic Mass:
202.157g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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