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100123-13-5 | Benzene, 3,5-hexadien-1-yn-1-yl-
CAS No: 100123-13-5 Catalog No: AG00010W MDL No:
Product Description
Catalog Number:
AG00010W
Chemical Name:
Benzene, 3,5-hexadien-1-yn-1-yl-
CAS Number:
100123-13-5
Molecular Formula:
C12H10
Molecular Weight:
154.2078
IUPAC Name:
hexa-3,5-dien-1-ynylbenzene
InChI:
InChI=1S/C12H10/c1-2-3-4-6-9-12-10-7-5-8-11-12/h2-5,7-8,10-11H,1H2
InChI Key:
OZLJCBBERZQWJW-UHFFFAOYSA-N
SMILES:
C=CC=CC#Cc1ccccc1
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.078g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.212g/mol
Monoisotopic Mass:
154.078g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.7
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