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151134-13-3 | Acetic acid, 2-[(2,2,5-trimethyl-1,3-dioxan-5-yl)methoxy]-, methyl ester
CAS No: 151134-13-3 Catalog No: AG001N4N MDL No:
Product Description
Catalog Number:
AG001N4N
Chemical Name:
Acetic acid, 2-[(2,2,5-trimethyl-1,3-dioxan-5-yl)methoxy]-, methyl ester
CAS Number:
151134-13-3
Molecular Formula:
C11H20O5
Molecular Weight:
232.2735
IUPAC Name:
methyl 2-[(2,2,5-trimethyl-1,3-dioxan-5-yl)methoxy]acetate
InChI:
InChI=1S/C11H20O5/c1-10(2)15-7-11(3,8-16-10)6-14-5-9(12)13-4/h5-8H2,1-4H3
InChI Key:
AIARCKUKNMECHJ-UHFFFAOYSA-N
SMILES:
COC(=O)COCC1(C)COC(OC1)(C)C
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.131g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.276g/mol
Monoisotopic Mass:
232.131g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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