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16792-03-3 | Butanoic acid, 3-Methyl-, 1,1-diMethylethyl ester
CAS No: 16792-03-3 Catalog No: AG001XP3 MDL No:
Product Description
Catalog Number:
AG001XP3
Chemical Name:
Butanoic acid, 3-Methyl-, 1,1-diMethylethyl ester
CAS Number:
16792-03-3
Molecular Formula:
C9H18O2
Molecular Weight:
158.2380
IUPAC Name:
tert-butyl 3-methylbutanoate
InChI:
InChI=1S/C9H18O2/c1-7(2)6-8(10)11-9(3,4)5/h7H,6H2,1-5H3
InChI Key:
ZKAODOPIAGAVNQ-UHFFFAOYSA-N
SMILES:
CC(CC(=O)OC(C)(C)C)C
Properties
Complexity:
131
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:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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