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40452-20-8

40452-20-8 | 2-Phenanthrenecarboxylicacid

CAS No: 40452-20-8 Catalog No: AG0038QI MDL No:MFCD09865173

Product Description

Catalog Number:
AG0038QI
Chemical Name:
2-Phenanthrenecarboxylicacid
CAS Number:
40452-20-8
Molecular Formula:
C15H10O2
Molecular Weight:
222.2387
MDL Number:
MFCD09865173
IUPAC Name:
phenanthrene-2-carboxylic acid
InChI:
InChI=1S/C15H10O2/c16-15(17)12-7-8-14-11(9-12)6-5-10-3-1-2-4-13(10)14/h1-9H,(H,16,17)
InChI Key:
QTWYUOSZMIWHJV-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)ccc1c2cccc1

Properties

Complexity:
299  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.068g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
222.243g/mol
Monoisotopic Mass:
222.068g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5  

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