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138925-69-6 | 9-Anthracenebutanol
CAS No: 138925-69-6 Catalog No: AG0019US MDL No:
Product Description
Catalog Number:
AG0019US
Chemical Name:
9-Anthracenebutanol
CAS Number:
138925-69-6
Molecular Formula:
C18H18O
Molecular Weight:
250.3349
IUPAC Name:
4-anthracen-9-ylbutan-1-ol
InChI:
InChI=1S/C18H18O/c19-12-6-5-11-18-16-9-3-1-7-14(16)13-15-8-2-4-10-17(15)18/h1-4,7-10,13,19H,5-6,11-12H2
InChI Key:
XBMJVUQZFZADHA-UHFFFAOYSA-N
SMILES:
OCCCCc1c2ccccc2cc2c1cccc2
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.136g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.341g/mol
Monoisotopic Mass:
250.136g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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