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23204-24-2 | 1H-Cyclobuta[de]naphthalene-1-carboxylic acid, 1-hydroxy-
CAS No: 23204-24-2 Catalog No: AG002MIU MDL No:
Product Description
Catalog Number:
AG002MIU
Chemical Name:
1H-Cyclobuta[de]naphthalene-1-carboxylic acid, 1-hydroxy-
CAS Number:
23204-24-2
Molecular Formula:
C12H8O3
Molecular Weight:
200.1901
IUPAC Name:
2-hydroxytricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene-2-carboxylic acid
InChI:
InChI=1S/C12H8O3/c13-11(14)12(15)8-5-1-3-7-4-2-6-9(12)10(7)8/h1-6,15H,(H,13,14)
InChI Key:
CTKQMRVXZCRWHP-UHFFFAOYSA-N
SMILES:
OC(=O)C1(O)c2cccc3c2c1ccc3
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.047g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
200.193g/mol
Monoisotopic Mass:
200.047g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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