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16537-12-5 | Butanoic acid, 2-methyl-, 1,1-dimethylethyl ester
CAS No: 16537-12-5 Catalog No: AG001W4Q MDL No:MFCD19600072
Product Description
Catalog Number:
AG001W4Q
Chemical Name:
Butanoic acid, 2-methyl-, 1,1-dimethylethyl ester
CAS Number:
16537-12-5
Molecular Formula:
C9H18O2
Molecular Weight:
158.2380
MDL Number:
MFCD19600072
IUPAC Name:
tert-butyl 2-methylbutanoate
InChI:
InChI=1S/C9H18O2/c1-6-7(2)8(10)11-9(3,4)5/h7H,6H2,1-5H3
InChI Key:
LPSJKZWOLKMCCA-UHFFFAOYSA-N
SMILES:
CCC(C(=O)OC(C)(C)C)C
Properties
Complexity:
133
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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