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88376-85-6 | 1-Hexen-5-yn-3-ol, 2-methyl-
CAS No: 88376-85-6 Catalog No: AG004IPG MDL No:
Product Description
Catalog Number:
AG004IPG
Chemical Name:
1-Hexen-5-yn-3-ol, 2-methyl-
CAS Number:
88376-85-6
Molecular Formula:
C7H10O
Molecular Weight:
110.1537
IUPAC Name:
2-methylhex-1-en-5-yn-3-ol
InChI:
InChI=1S/C7H10O/c1-4-5-7(8)6(2)3/h1,7-8H,2,5H2,3H3
InChI Key:
XGEZBKXOWDBKEQ-UHFFFAOYSA-N
SMILES:
CC(=C)C(CC#C)O
Properties
Complexity:
127
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:
1.4
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