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1573-67-7 | 1-Hexen-5-yn-3-ol, 3-methyl-
CAS No: 1573-67-7 Catalog No: AG001PD6 MDL No:
Product Description
Catalog Number:
AG001PD6
Chemical Name:
1-Hexen-5-yn-3-ol, 3-methyl-
CAS Number:
1573-67-7
Molecular Formula:
C7H10O
Molecular Weight:
110.1537
IUPAC Name:
3-methylhex-1-en-5-yn-3-ol
InChI:
InChI=1S/C7H10O/c1-4-6-7(3,8)5-2/h1,5,8H,2,6H2,3H3
InChI Key:
GMBLUXSJUUBWSJ-UHFFFAOYSA-N
SMILES:
CC(C=C)(CC#C)O
Properties
Complexity:
129
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
110.073g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
110.156g/mol
Monoisotopic Mass:
110.073g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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