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85762-19-2 | Butanoic acid, 3-hydroxy-, 2-methylpropyl ester
CAS No: 85762-19-2 Catalog No: AG004RZ3 MDL No:
Product Description
Catalog Number:
AG004RZ3
Chemical Name:
Butanoic acid, 3-hydroxy-, 2-methylpropyl ester
CAS Number:
85762-19-2
Molecular Formula:
C8H16O3
Molecular Weight:
160.2108
IUPAC Name:
2-methylpropyl 3-hydroxybutanoate
InChI:
InChI=1S/C8H16O3/c1-6(2)5-11-8(10)4-7(3)9/h6-7,9H,4-5H2,1-3H3
InChI Key:
DBUHENMJXAGYNE-UHFFFAOYSA-N
SMILES:
CC(COC(=O)CC(O)C)C
Properties
Complexity:
121
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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