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139220-37-4 | 4-Undecyn-2-ol, (S)- (9CI)
CAS No: 139220-37-4 Catalog No: AG001AHR MDL No:
Product Description
Catalog Number:
AG001AHR
Chemical Name:
4-Undecyn-2-ol, (S)- (9CI)
CAS Number:
139220-37-4
Molecular Formula:
C11H20O
Molecular Weight:
168.2759
IUPAC Name:
undec-4-yn-2-ol
InChI:
InChI=1S/C11H20O/c1-3-4-5-6-7-8-9-10-11(2)12/h11-12H,3-7,10H2,1-2H3
InChI Key:
XFTIHFZXGCQSPN-UHFFFAOYSA-N
SMILES:
CCCCCCC#CC[C@@H](O)C
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.151g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
168.28g/mol
Monoisotopic Mass:
168.151g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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