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1450754-40-1 | 6-Heptyn-3-one, 1-hydroxy-
CAS No: 1450754-40-1 Catalog No: AG001KJC MDL No:MFCD29041964
Product Description
Catalog Number:
AG001KJC
Chemical Name:
6-Heptyn-3-one, 1-hydroxy-
CAS Number:
1450754-40-1
Molecular Formula:
C7H10O2
Molecular Weight:
126.1531
MDL Number:
MFCD29041964
IUPAC Name:
1-hydroxyhept-6-yn-3-one
InChI:
InChI=1S/C7H10O2/c1-2-3-4-7(9)5-6-8/h1,8H,3-6H2
InChI Key:
ZQZAQQAINFKNQT-UHFFFAOYSA-N
SMILES:
OCCC(=O)CCC#C
Properties
Complexity:
129
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.068g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
126.155g/mol
Monoisotopic Mass:
126.068g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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