Home Carboxys 2-Hydroxy-3-carboxy-1-naphthaldehyd

2-Hydroxy-3-carboxy-1-naphthaldehyd

CAS No.:
38399-46-1
Catalog Number:
AG00CYPA
Molecular Formula:
C12H8O4
Molecular Weight:
216.1895
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Product Description
Catalog Number:
AG00CYPA
Chemical Name:
2-Hydroxy-3-carboxy-1-naphthaldehyd
CAS Number:
38399-46-1
Molecular Formula:
C12H8O4
Molecular Weight:
216.1895
MDL Number:
MFCD00449857
IUPAC Name:
4-formyl-3-hydroxynaphthalene-2-carboxylic acid
InChI:
InChI=1S/C12H8O4/c13-6-10-8-4-2-1-3-7(8)5-9(11(10)14)12(15)16/h1-6,14H,(H,15,16)
InChI Key:
LPRBZICETYEWOZ-UHFFFAOYSA-N
SMILES:
O=Cc1c(O)c(cc2c1cccc2)C(=O)O
EC Number:
609-548-0
Properties
Complexity:
289  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.042g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
216.192g/mol
Monoisotopic Mass:
216.042g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties