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88226-63-5 | Butanoic acid, 2-[(acetyloxy)methyl]-, ethyl ester
CAS No: 88226-63-5 Catalog No: AG004D1A MDL No:
Product Description
Catalog Number:
AG004D1A
Chemical Name:
Butanoic acid, 2-[(acetyloxy)methyl]-, ethyl ester
CAS Number:
88226-63-5
Molecular Formula:
C9H16O4
Molecular Weight:
188.2209
IUPAC Name:
ethyl 2-(acetyloxymethyl)butanoate
InChI:
InChI=1S/C9H16O4/c1-4-8(6-13-7(3)10)9(11)12-5-2/h8H,4-6H2,1-3H3
InChI Key:
LIMQHXXNBDKBBR-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(COC(=O)C)CC
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.105g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.223g/mol
Monoisotopic Mass:
188.105g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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