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114191-96-7 | 2-Anthraceneethanol
CAS No: 114191-96-7 Catalog No: AG000AR6 MDL No:
Product Description
Catalog Number:
AG000AR6
Chemical Name:
2-Anthraceneethanol
CAS Number:
114191-96-7
Molecular Formula:
C16H14O
Molecular Weight:
222.2818
IUPAC Name:
2-anthracen-2-ylethanol
InChI:
InChI=1S/C16H14O/c17-8-7-12-5-6-15-10-13-3-1-2-4-14(13)11-16(15)9-12/h1-6,9-11,17H,7-8H2
InChI Key:
GJLKVLSGIDSXKU-UHFFFAOYSA-N
SMILES:
OCCc1ccc2c(c1)cc1c(c2)cccc1
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.104g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.287g/mol
Monoisotopic Mass:
222.104g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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