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125537-59-9 | Butanoic acid, 4-chloro-3-hydroxy-, 1,1-dimethylethyl ester
CAS No: 125537-59-9 Catalog No: AG000NU2 MDL No:
Product Description
Catalog Number:
AG000NU2
Chemical Name:
Butanoic acid, 4-chloro-3-hydroxy-, 1,1-dimethylethyl ester
CAS Number:
125537-59-9
Molecular Formula:
C8H15ClO3
Molecular Weight:
194.6559
IUPAC Name:
tert-butyl 4-chloro-3-hydroxybutanoate
InChI:
InChI=1S/C8H15ClO3/c1-8(2,3)12-7(11)4-6(10)5-9/h6,10H,4-5H2,1-3H3
InChI Key:
FTNVTERIGHWULD-UHFFFAOYSA-N
SMILES:
ClCC(CC(=O)OC(C)(C)C)O
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.071g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.655g/mol
Monoisotopic Mass:
194.071g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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