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76652-28-3 | 2,5,8,10-Tetraoxatridec-12-ynoic acid, 9-oxo-, 2-propynyl ester
CAS No: 76652-28-3 Catalog No: AG005J58 MDL No:
Product Description
Catalog Number:
AG005J58
Chemical Name:
2,5,8,10-Tetraoxatridec-12-ynoic acid, 9-oxo-, 2-propynyl ester
CAS Number:
76652-28-3
Molecular Formula:
C12H14O7
Molecular Weight:
270.2354
IUPAC Name:
2-(2-prop-2-ynoxycarbonyloxyethoxy)ethyl prop-2-ynyl carbonate
InChI:
InChI=1S/C12H14O7/c1-3-5-16-11(13)18-9-7-15-8-10-19-12(14)17-6-4-2/h1-2H,5-10H2
InChI Key:
KUZDWQQRVBDXCK-UHFFFAOYSA-N
SMILES:
C#CCOC(=O)OCCOCCOC(=O)OCC#C
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.074g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.237g/mol
Monoisotopic Mass:
270.074g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
80.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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