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816-50-2 | butyl 2-hydroxy-2-methyl-propanoate
CAS No: 816-50-2 Catalog No: AG0051CO MDL No:
Product Description
Catalog Number:
AG0051CO
Chemical Name:
butyl 2-hydroxy-2-methyl-propanoate
CAS Number:
816-50-2
Molecular Formula:
C8H16O3
Molecular Weight:
160.2108
IUPAC Name:
butyl 2-hydroxy-2-methylpropanoate
InChI:
InChI=1S/C8H16O3/c1-4-5-6-11-7(9)8(2,3)10/h10H,4-6H2,1-3H3
InChI Key:
KDOLGPLJUMQYBO-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)C(O)(C)C
NSC Number:
6118
Properties
Complexity:
129
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.11g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
160.213g/mol
Monoisotopic Mass:
160.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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