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125363-72-6 | Cyclobuta[a]naphthalene-2-carboxylic acid, 1,2-dihydro-6-hydroxy-
CAS No: 125363-72-6 Catalog No: AG000NJO MDL No:
Product Description
Catalog Number:
AG000NJO
Chemical Name:
Cyclobuta[a]naphthalene-2-carboxylic acid, 1,2-dihydro-6-hydroxy-
CAS Number:
125363-72-6
Molecular Formula:
C13H10O3
Molecular Weight:
214.2167
IUPAC Name:
6-hydroxy-1,2-dihydrocyclobuta[a]naphthalene-2-carboxylic acid
InChI:
InChI=1S/C13H10O3/c14-8-2-4-9-7(5-8)1-3-10-11(9)6-12(10)13(15)16/h1-5,12,14H,6H2,(H,15,16)
InChI Key:
AGWMUHOZWMNNMW-UHFFFAOYSA-N
SMILES:
OC(=O)C1Cc2c1ccc1c2ccc(c1)O
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.063g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
214.22g/mol
Monoisotopic Mass:
214.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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