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81778-04-3 | Propanoic acid, 3-(acetyloxy)-2,2-dimethyl-, methyl ester
CAS No: 81778-04-3 Catalog No: AG005I21 MDL No:
Product Description
Catalog Number:
AG005I21
Chemical Name:
Propanoic acid, 3-(acetyloxy)-2,2-dimethyl-, methyl ester
CAS Number:
81778-04-3
Molecular Formula:
C8H14O4
Molecular Weight:
174.1944
IUPAC Name:
methyl 3-acetyloxy-2,2-dimethylpropanoate
InChI:
InChI=1S/C8H14O4/c1-6(9)12-5-8(2,3)7(10)11-4/h5H2,1-4H3
InChI Key:
ZBLQEXIZXXIQGX-UHFFFAOYSA-N
SMILES:
COC(=O)C(COC(=O)C)(C)C
Properties
Complexity:
184
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:
5
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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