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100379-06-4 | 6-Hepten-3-yn-2-ol, 6-bromo-2-methyl-
CAS No: 100379-06-4 Catalog No: AG0001T4 MDL No:
Product Description
Catalog Number:
AG0001T4
Chemical Name:
6-Hepten-3-yn-2-ol, 6-bromo-2-methyl-
CAS Number:
100379-06-4
Molecular Formula:
C8H11BrO
Molecular Weight:
203.0763
IUPAC Name:
6-bromo-2-methylhept-6-en-3-yn-2-ol
InChI:
InChI=1S/C8H11BrO/c1-7(9)5-4-6-8(2,3)10/h10H,1,5H2,2-3H3
InChI Key:
SMPAXHDJXTYRLU-UHFFFAOYSA-N
SMILES:
BrC(=C)CC#CC(O)(C)C
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.999g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.079g/mol
Monoisotopic Mass:
201.999g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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