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84696-83-3 | Butanoic acid,2-methyl-, 1,2-dimethylpropyl ester
CAS No: 84696-83-3 Catalog No: AG004SNQ MDL No:
Product Description
Catalog Number:
AG004SNQ
Chemical Name:
Butanoic acid,2-methyl-, 1,2-dimethylpropyl ester
CAS Number:
84696-83-3
Molecular Formula:
C10H20O2
Molecular Weight:
172.2646
IUPAC Name:
3-methylbutan-2-yl 2-methylbutanoate
InChI:
InChI=1S/C10H20O2/c1-6-8(4)10(11)12-9(5)7(2)3/h7-9H,6H2,1-5H3
InChI Key:
AVTPHFBHRSGVRP-UHFFFAOYSA-N
SMILES:
CCC(C(=O)OC(C(C)C)C)C
EC Number:
283-690-8
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.146g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.268g/mol
Monoisotopic Mass:
172.146g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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