Home Carboxys 1,2-Dihydroacenaphthylene-5-carboxylic acid

1,2-Dihydroacenaphthylene-5-carboxylic acid

CAS No.:
55720-22-4
Catalog Number:
AG003MBJ
Molecular Formula:
C13H10O2
Molecular Weight:
198.2173
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Product Description
Catalog Number:
AG003MBJ
Chemical Name:
1,2-Dihydroacenaphthylene-5-carboxylic acid
CAS Number:
55720-22-4
Molecular Formula:
C13H10O2
Molecular Weight:
198.2173
MDL Number:
MFCD00222369
IUPAC Name:
1,2-dihydroacenaphthylene-5-carboxylic acid
InChI:
InChI=1S/C13H10O2/c14-13(15)11-7-6-9-5-4-8-2-1-3-10(11)12(8)9/h1-3,6-7H,4-5H2,(H,14,15)
InChI Key:
DXKAWGBIIVQFIE-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c3c1cccc3CC2
UNII:
YM75C742M7
NSC Number:
137409
Properties
Complexity:
274  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.068g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
198.221g/mol
Monoisotopic Mass:
198.068g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Literature
Title Journal
Metabolites indicate hot spots of biodegradation and biogeochemical gradients in a high-resolution monitoring well. Environmental science & technology 20110115
Properties