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88315-92-8 | 1,4-Epoxyanthracen-5-ol, 1,2,3,4-tetrahydro-2,3-bis(methylene)-
CAS No: 88315-92-8 Catalog No: AG0048OR MDL No:
Product Description
Catalog Number:
AG0048OR
Chemical Name:
1,4-Epoxyanthracen-5-ol, 1,2,3,4-tetrahydro-2,3-bis(methylene)-
CAS Number:
88315-92-8
Molecular Formula:
C16H12O2
Molecular Weight:
236.2653
IUPAC Name:
13,14-dimethylidene-15-oxatetracyclo[10.2.1.02,11.04,9]pentadeca-2(11),3,5,7,9-pentaen-5-ol
InChI:
InChI=1S/C16H12O2/c1-8-9(2)16-13-7-11-10(4-3-5-14(11)17)6-12(13)15(8)18-16/h3-7,15-17H,1-2H2
InChI Key:
BVXBSNLUDKJQMM-UHFFFAOYSA-N
SMILES:
C=C1C(=C)C2OC1c1c2cc2c(c1)c(O)ccc2
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.084g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.27g/mol
Monoisotopic Mass:
236.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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