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16017-30-4 | Benzene, 1-ethynyl-2,4-dimethyl-
CAS No: 16017-30-4 Catalog No: AG001RQ1 MDL No:
Product Description
Catalog Number:
AG001RQ1
Chemical Name:
Benzene, 1-ethynyl-2,4-dimethyl-
CAS Number:
16017-30-4
Molecular Formula:
C10H10
Molecular Weight:
130.1864
IUPAC Name:
1-ethynyl-2,4-dimethylbenzene
InChI:
InChI=1S/C10H10/c1-4-10-6-5-8(2)7-9(10)3/h1,5-7H,2-3H3
InChI Key:
GMODJHLJRNXLMC-UHFFFAOYSA-N
SMILES:
C#Cc1ccc(cc1C)C
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
130.078g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
130.19g/mol
Monoisotopic Mass:
130.078g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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