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70603-30-4 | Benzene, 1,2,4-triethynyl- (9CI)
CAS No: 70603-30-4 Catalog No: AG005HQH MDL No:
Product Description
Catalog Number:
AG005HQH
Chemical Name:
Benzene, 1,2,4-triethynyl- (9CI)
CAS Number:
70603-30-4
Molecular Formula:
C12H6
Molecular Weight:
150.1760
IUPAC Name:
1,2,4-triethynylbenzene
InChI:
InChI=1S/C12H6/c1-4-10-7-8-11(5-2)12(6-3)9-10/h1-3,7-9H
InChI Key:
NTJBKIYOJICXGY-UHFFFAOYSA-N
SMILES:
C#Cc1ccc(c(c1)C#C)C#C
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.047g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
150.18g/mol
Monoisotopic Mass:
150.047g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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