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131837-12-2 | Pentanoic acid, 2-(ethoxymethyl)-3-methyl-, ethyl ester
CAS No: 131837-12-2 Catalog No: AG000ZTK MDL No:
Product Description
Catalog Number:
AG000ZTK
Chemical Name:
Pentanoic acid, 2-(ethoxymethyl)-3-methyl-, ethyl ester
CAS Number:
131837-12-2
Molecular Formula:
C11H22O3
Molecular Weight:
202.2906
IUPAC Name:
ethyl 2-(ethoxymethyl)-3-methylpentanoate
InChI:
InChI=1S/C11H22O3/c1-5-9(4)10(8-13-6-2)11(12)14-7-3/h9-10H,5-8H2,1-4H3
InChI Key:
YAKNECWQPJXJRR-UHFFFAOYSA-N
SMILES:
CCOCC(C(=O)OCC)C(CC)C
Properties
Complexity:
157
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:
8
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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