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87777-46-6 | 1-Heptyn-3-ol,4-methyl-
CAS No: 87777-46-6 Catalog No: AG004KYU MDL No:
Product Description
Catalog Number:
AG004KYU
Chemical Name:
1-Heptyn-3-ol,4-methyl-
CAS Number:
87777-46-6
Molecular Formula:
C8H14O
Molecular Weight:
126.1962
IUPAC Name:
4-methylhept-1-yn-3-ol
InChI:
InChI=1S/C8H14O/c1-4-6-7(3)8(9)5-2/h2,7-9H,4,6H2,1,3H3
InChI Key:
WONUPNLSAKXVSN-UHFFFAOYSA-N
SMILES:
CC(C(C#C)O)CCC
Properties
Complexity:
109
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.104g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
126.199g/mol
Monoisotopic Mass:
126.104g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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