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16433-87-7 | 2-Anthracenol, 2-acetate
CAS No: 16433-87-7 Catalog No: AG001UT5 MDL No:
Product Description
Catalog Number:
AG001UT5
Chemical Name:
2-Anthracenol, 2-acetate
CAS Number:
16433-87-7
Molecular Formula:
C16H12O2
Molecular Weight:
236.2653
IUPAC Name:
acetic acid;anthracen-2-ol
InChI:
InChI=1S/C14H10O.C2H4O2/c15-14-6-5-12-7-10-3-1-2-4-11(10)8-13(12)9-14;1-2(3)4/h1-9,15H;1H3,(H,3,4)
InChI Key:
KVWBURDOGVLLMV-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1ccc2c(c1)cc1c(c2)cccc1
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.094g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
254.285g/mol
Monoisotopic Mass:
254.094g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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