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10250-48-3 | Butanoic acid, 3,3-dimethyl-, methyl ester
CAS No: 10250-48-3 Catalog No: AG0007LI MDL No:
Product Description
Catalog Number:
AG0007LI
Chemical Name:
Butanoic acid, 3,3-dimethyl-, methyl ester
CAS Number:
10250-48-3
Molecular Formula:
C7H14O2
Molecular Weight:
130.1849
IUPAC Name:
methyl 3,3-dimethylbutanoate
InChI:
InChI=1S/C7H14O2/c1-7(2,3)5-6(8)9-4/h5H2,1-4H3
InChI Key:
DXBOTVWRXLQVMG-UHFFFAOYSA-N
SMILES:
COC(=O)CC(C)(C)C
EC Number:
233-590-5
Properties
Complexity:
100
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
130.099g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
130.187g/mol
Monoisotopic Mass:
130.099g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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