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126422-60-4 | Benzene, 1,2-bis[(2-propyn-1-yloxy)methyl]-
CAS No: 126422-60-4 Catalog No: AG000SRY MDL No:
Product Description
Catalog Number:
AG000SRY
Chemical Name:
Benzene, 1,2-bis[(2-propyn-1-yloxy)methyl]-
CAS Number:
126422-60-4
Molecular Formula:
C14H14O2
Molecular Weight:
214.2598
IUPAC Name:
1,2-bis(prop-2-ynoxymethyl)benzene
InChI:
InChI=1S/C14H14O2/c1-3-9-15-11-13-7-5-6-8-14(13)12-16-10-4-2/h1-2,5-8H,9-12H2
InChI Key:
VMZOMHOKTLWQBW-UHFFFAOYSA-N
SMILES:
C#CCOCc1ccccc1COCC#C
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.099g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.264g/mol
Monoisotopic Mass:
214.099g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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