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76379-66-3 | 5,7,11-Dodecatriyn-1-ol
CAS No: 76379-66-3 Catalog No: AG005CF6 MDL No:
Product Description
Catalog Number:
AG005CF6
Chemical Name:
5,7,11-Dodecatriyn-1-ol
CAS Number:
76379-66-3
Molecular Formula:
C12H14O
Molecular Weight:
174.2390
IUPAC Name:
dodeca-5,7,11-triyn-1-ol
InChI:
InChI=1S/C12H14O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h1,13H,3-4,9-12H2
InChI Key:
TWBPLYADCPQACM-UHFFFAOYSA-N
SMILES:
OCCCCC#CC#CCCC#C
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.104g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
174.243g/mol
Monoisotopic Mass:
174.104g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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