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119837-79-5 | 5-Hexynoic acid, anhydride with 5-hexynoic acid
CAS No: 119837-79-5 Catalog No: AG000PRG MDL No:
Product Description
Catalog Number:
AG000PRG
Chemical Name:
5-Hexynoic acid, anhydride with 5-hexynoic acid
CAS Number:
119837-79-5
Molecular Formula:
C12H14O3
Molecular Weight:
206.2378
IUPAC Name:
hex-5-ynoyl hex-5-ynoate
InChI:
InChI=1S/C12H14O3/c1-3-5-7-9-11(13)15-12(14)10-8-6-4-2/h1-2H,5-10H2
InChI Key:
VJYWQVHGRFVTFW-UHFFFAOYSA-N
SMILES:
C#CCCCC(=O)OC(=O)CCCC#C
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.094g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.241g/mol
Monoisotopic Mass:
206.094g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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