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114807-16-8 | 1-Hexanol, 6-bromo-, 1-propanoate
CAS No: 114807-16-8 Catalog No: AG000F9V MDL No:
Product Description
Catalog Number:
AG000F9V
Chemical Name:
1-Hexanol, 6-bromo-, 1-propanoate
CAS Number:
114807-16-8
Molecular Formula:
C9H17BrO2
Molecular Weight:
237.1341
IUPAC Name:
6-bromohexan-1-ol;propanoic acid
InChI:
InChI=1S/C6H13BrO.C3H6O2/c7-5-3-1-2-4-6-8;1-2-3(4)5/h8H,1-6H2;2H2,1H3,(H,4,5)
InChI Key:
LXTQOKRYQWEUET-UHFFFAOYSA-N
SMILES:
BrCCCCCCOC(=O)CC
Properties
Complexity:
79.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.052g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
255.152g/mol
Monoisotopic Mass:
254.052g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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