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69341-75-9

69341-75-9 | TERT-BUTYL 3,3-DIMETHYLBUTANOATE

CAS No: 69341-75-9 Catalog No: AG006FUV MDL No:

Product Description

Catalog Number:
AG006FUV
Chemical Name:
TERT-BUTYL 3,3-DIMETHYLBUTANOATE
CAS Number:
69341-75-9
Molecular Formula:
C10H20O2
Molecular Weight:
172.2646
IUPAC Name:
tert-butyl 3,3-dimethylbutanoate
InChI:
InChI=1S/C10H20O2/c1-9(2,3)7-8(11)12-10(4,5)6/h7H2,1-6H3
InChI Key:
JECSMAJWAQZWRS-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)CC(C)(C)C

Properties

Complexity:
158  
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:
4  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  

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