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88226-62-4 | Propanoic acid, 3-(acetyloxy)-2-methyl-, ethyl ester
CAS No: 88226-62-4 Catalog No: AG004D1B MDL No:
Product Description
Catalog Number:
AG004D1B
Chemical Name:
Propanoic acid, 3-(acetyloxy)-2-methyl-, ethyl ester
CAS Number:
88226-62-4
Molecular Formula:
C8H14O4
Molecular Weight:
174.1944
IUPAC Name:
ethyl 3-acetyloxy-2-methylpropanoate
InChI:
InChI=1S/C8H14O4/c1-4-11-8(10)6(2)5-12-7(3)9/h6H,4-5H2,1-3H3
InChI Key:
QGFYVEVJPYWTQM-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(COC(=O)C)C
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.089g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.196g/mol
Monoisotopic Mass:
174.089g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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