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13752-40-4 | Anthracene, 9-ethynyl-
CAS No: 13752-40-4 Catalog No: AG0013HE MDL No:
Product Description
Catalog Number:
AG0013HE
Chemical Name:
Anthracene, 9-ethynyl-
CAS Number:
13752-40-4
Molecular Formula:
C16H10
Molecular Weight:
202.2506
IUPAC Name:
9-ethynylanthracene
InChI:
InChI=1S/C16H10/c1-2-14-15-9-5-3-7-12(15)11-13-8-4-6-10-16(13)14/h1,3-11H
InChI Key:
WSZBYXQREMPYLP-UHFFFAOYSA-N
SMILES:
C#Cc1c2ccccc2cc2c1cccc2
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.078g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.256g/mol
Monoisotopic Mass:
202.078g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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