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191354-44-6 | Butanoic acid, 3-(acetyloxy)-4-bromo-, (3S)-
CAS No: 191354-44-6 Catalog No: AG002F6U MDL No:MFCD00672879
Product Description
Catalog Number:
AG002F6U
Chemical Name:
Butanoic acid, 3-(acetyloxy)-4-bromo-, (3S)-
CAS Number:
191354-44-6
Molecular Formula:
C6H9BrO4
Molecular Weight:
225.0373
MDL Number:
MFCD00672879
IUPAC Name:
(3S)-3-acetyloxy-4-bromobutanoic acid
InChI:
InChI=1S/C6H9BrO4/c1-4(8)11-5(3-7)2-6(9)10/h5H,2-3H2,1H3,(H,9,10)/t5-/m0/s1
InChI Key:
RYWNWBFHMUEPNO-YFKPBYRVSA-N
SMILES:
BrC[C@@H](OC(=O)C)CC(=O)O
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
223.968g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.038g/mol
Monoisotopic Mass:
223.968g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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