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80010-98-6 | Cyclopenta[cd]pyren-4-ol,3,4-dihydro-
CAS No: 80010-98-6 Catalog No: AG0055H4 MDL No:
Product Description
Catalog Number:
AG0055H4
Chemical Name:
Cyclopenta[cd]pyren-4-ol,3,4-dihydro-
CAS Number:
80010-98-6
Molecular Formula:
C18H12O
Molecular Weight:
244.2873
IUPAC Name:
pentacyclo[12.3.1.04,17.07,16.010,15]octadeca-1(18),4(17),5,7(16),8,10(15),11,13-octaen-2-ol
InChI:
InChI=1S/C18H12O/c19-15-9-13-7-6-11-5-4-10-2-1-3-12-8-14(15)17(13)18(11)16(10)12/h1-8,15,19H,9H2
InChI Key:
MTPQVBORAVXWFJ-UHFFFAOYSA-N
SMILES:
OC1Cc2c3c1cc1cccc4c1c3c(cc2)cc4
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.089g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.293g/mol
Monoisotopic Mass:
244.089g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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