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131837-14-4 | Pentanoic acid, 2-(ethoxymethyl)-3,3-dimethyl-, ethyl ester
CAS No: 131837-14-4 Catalog No: AG000ZTI MDL No:
Product Description
Catalog Number:
AG000ZTI
Chemical Name:
Pentanoic acid, 2-(ethoxymethyl)-3,3-dimethyl-, ethyl ester
CAS Number:
131837-14-4
Molecular Formula:
C12H24O3
Molecular Weight:
216.3172
IUPAC Name:
ethyl 2-(ethoxymethyl)-3,3-dimethylpentanoate
InChI:
InChI=1S/C12H24O3/c1-6-12(4,5)10(9-14-7-2)11(13)15-8-3/h10H,6-9H2,1-5H3
InChI Key:
BDJIVSFVPKWNJE-UHFFFAOYSA-N
SMILES:
CCOCC(C(CC)(C)C)C(=O)OCC
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.173g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.321g/mol
Monoisotopic Mass:
216.173g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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