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823813-75-8 | 1,4-Pentadiyne-1,5-diol, 3-(1-ethynyl-2-propynylidene)-
CAS No: 823813-75-8 Catalog No: AG005C3H MDL No:
Product Description
Catalog Number:
AG005C3H
Chemical Name:
1,4-Pentadiyne-1,5-diol, 3-(1-ethynyl-2-propynylidene)-
CAS Number:
823813-75-8
Molecular Formula:
C10H4O2
Molecular Weight:
156.1376
IUPAC Name:
3-penta-1,4-diyn-3-ylidenepenta-1,4-diyne-1,5-diol
InChI:
InChI=1S/C10H4O2/c1-3-9(4-2)10(5-7-11)6-8-12/h1-2,11-12H
InChI Key:
SPRBKFWBUHHZHO-UHFFFAOYSA-N
SMILES:
OC#CC(=C(C#C)C#C)C#CO
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.021g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
156.14g/mol
Monoisotopic Mass:
156.021g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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