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126502-98-5 | Hexanoic acid, 6-bromo-3-hydroxy-
CAS No: 126502-98-5 Catalog No: AG000SUI MDL No:
Product Description
Catalog Number:
AG000SUI
Chemical Name:
Hexanoic acid, 6-bromo-3-hydroxy-
CAS Number:
126502-98-5
Molecular Formula:
C6H11BrO3
Molecular Weight:
211.0537
IUPAC Name:
6-bromo-3-hydroxyhexanoic acid
InChI:
InChI=1S/C6H11BrO3/c7-3-1-2-5(8)4-6(9)10/h5,8H,1-4H2,(H,9,10)
InChI Key:
PRMNZQRHYSTJDR-UHFFFAOYSA-N
SMILES:
BrCCCC(CC(=O)O)O
Properties
Complexity:
105
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.989g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
211.055g/mol
Monoisotopic Mass:
209.989g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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