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10250-49-4 | Butanoic acid, 2,2-diethyl-, methyl ester
CAS No: 10250-49-4 Catalog No: AG0007LH MDL No:
Product Description
Catalog Number:
AG0007LH
Chemical Name:
Butanoic acid, 2,2-diethyl-, methyl ester
CAS Number:
10250-49-4
Molecular Formula:
C9H18O2
Molecular Weight:
158.2380
IUPAC Name:
methyl 2,2-diethylbutanoate
InChI:
InChI=1S/C9H18O2/c1-5-9(6-2,7-3)8(10)11-4/h5-7H2,1-4H3
InChI Key:
IGTCPEIOLUENHZ-UHFFFAOYSA-N
SMILES:
COC(=O)C(CC)(CC)CC
Properties
Complexity:
117
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:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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