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247228-72-4 | 3-Penten-2-ol, 3-bromo-4-methyl-
CAS No: 247228-72-4 Catalog No: AG002P7Q MDL No:
Product Description
Catalog Number:
AG002P7Q
Chemical Name:
3-Penten-2-ol, 3-bromo-4-methyl-
CAS Number:
247228-72-4
Molecular Formula:
C6H11BrO
Molecular Weight:
179.0549
IUPAC Name:
3-bromo-4-methylpent-3-en-2-ol
InChI:
InChI=1S/C6H11BrO/c1-4(2)6(7)5(3)8/h5,8H,1-3H3
InChI Key:
SZAGXWBOMWMFOD-UHFFFAOYSA-N
SMILES:
CC(=C(C(O)C)Br)C
Properties
Complexity:
103
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.999g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.057g/mol
Monoisotopic Mass:
177.999g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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