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828276-58-0 | Butanoic acid, 4-bromo-3-hydroxy-, propyl ester
CAS No: 828276-58-0 Catalog No: AG0055PF MDL No:
Product Description
Catalog Number:
AG0055PF
Chemical Name:
Butanoic acid, 4-bromo-3-hydroxy-, propyl ester
CAS Number:
828276-58-0
Molecular Formula:
C7H13BrO3
Molecular Weight:
225.0803
IUPAC Name:
propyl 4-bromo-3-hydroxybutanoate
InChI:
InChI=1S/C7H13BrO3/c1-2-3-11-7(10)4-6(9)5-8/h6,9H,2-5H2,1H3
InChI Key:
CAWAXRYLKWINSI-UHFFFAOYSA-N
SMILES:
CCCOC(=O)CC(CBr)O
Properties
Complexity:
116
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.005g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.082g/mol
Monoisotopic Mass:
224.005g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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