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89807-42-1 | Butanoic acid, 3,3-dimethyl-2-oxo-, 2-methylpropyl ester
CAS No: 89807-42-1 Catalog No: AG003YA0 MDL No:
Product Description
Catalog Number:
AG003YA0
Chemical Name:
Butanoic acid, 3,3-dimethyl-2-oxo-, 2-methylpropyl ester
CAS Number:
89807-42-1
Molecular Formula:
C10H18O3
Molecular Weight:
186.2481
IUPAC Name:
2-methylpropyl 3,3-dimethyl-2-oxobutanoate
InChI:
InChI=1S/C10H18O3/c1-7(2)6-13-9(12)8(11)10(3,4)5/h7H,6H2,1-5H3
InChI Key:
SRLZBJPKMVLUON-UHFFFAOYSA-N
SMILES:
CC(COC(=O)C(=O)C(C)(C)C)C
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.126g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.251g/mol
Monoisotopic Mass:
186.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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