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86426-13-3 | Butanoic acid,3-hydroxy-3-methyl-2-(1-methylethyl)-, ethyl ester
CAS No: 86426-13-3 Catalog No: AG004NLR MDL No:
Product Description
Catalog Number:
AG004NLR
Chemical Name:
Butanoic acid,3-hydroxy-3-methyl-2-(1-methylethyl)-, ethyl ester
CAS Number:
86426-13-3
Molecular Formula:
C10H20O3
Molecular Weight:
188.2640
IUPAC Name:
ethyl 3-hydroxy-3-methyl-2-propan-2-ylbutanoate
InChI:
InChI=1S/C10H20O3/c1-6-13-9(11)8(7(2)3)10(4,5)12/h7-8,12H,6H2,1-5H3
InChI Key:
UMGJRHMIOSYDCR-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(O)(C)C)C(C)C
NSC Number:
11274
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.141g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.267g/mol
Monoisotopic Mass:
188.141g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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