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Home > Other Building Blocks > 1987-33-3
1987-33-3 | 5-Hexen-3-yn-2-ol, 6-methoxy-2-methyl-
CAS No: 1987-33-3 Catalog No: AG002BP1 MDL No:
Product Description
Catalog Number:
AG002BP1
Chemical Name:
5-Hexen-3-yn-2-ol, 6-methoxy-2-methyl-
CAS Number:
1987-33-3
Molecular Formula:
C8H12O2
Molecular Weight:
140.1797
IUPAC Name:
6-methoxy-2-methylhex-5-en-3-yn-2-ol
InChI:
InChI=1S/C8H12O2/c1-8(2,9)6-4-5-7-10-3/h5,7,9H,1-3H3
InChI Key:
BHQCVMLCCMICDI-UHFFFAOYSA-N
SMILES:
COC=CC#CC(O)(C)C
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.084g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
140.182g/mol
Monoisotopic Mass:
140.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.8
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