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16474-43-4 | Propanoic acid, 2,2-dimethyl-, 1,1-dimethylethyl ester
CAS No: 16474-43-4 Catalog No: AG001V3J MDL No:MFCD01861974
Product Description
Catalog Number:
AG001V3J
Chemical Name:
Propanoic acid, 2,2-dimethyl-, 1,1-dimethylethyl ester
CAS Number:
16474-43-4
Molecular Formula:
C9H18O2
Molecular Weight:
158.2380
MDL Number:
MFCD01861974
IUPAC Name:
tert-butyl 2,2-dimethylpropanoate
InChI:
InChI=1S/C9H18O2/c1-8(2,3)7(10)11-9(4,5)6/h1-6H3
InChI Key:
VXHFNALHLRWIIU-UHFFFAOYSA-N
SMILES:
O=C(C(C)(C)C)OC(C)(C)C
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.131g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.241g/mol
Monoisotopic Mass:
158.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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