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5811-87-0 | 1,8-NAPHTHALALDEHYDIC ACID
CAS No: 5811-87-0 Catalog No: AG003DS7 MDL No:MFCD00134159
Product Description
Catalog Number:
AG003DS7
Chemical Name:
1,8-NAPHTHALALDEHYDIC ACID
CAS Number:
5811-87-0
Molecular Formula:
C12H8O3
Molecular Weight:
200.1901
MDL Number:
MFCD00134159
IUPAC Name:
8-formylnaphthalene-1-carboxylic acid
InChI:
InChI=1S/C12H8O3/c13-7-9-5-1-3-8-4-2-6-10(11(8)9)12(14)15/h1-7H,(H,14,15)
InChI Key:
HLHDIWAOQIRETC-UHFFFAOYSA-N
SMILES:
O=Cc1cccc2c1c(ccc2)C(=O)O
EC Number:
227-377-6
NSC Number:
100959
Properties
Complexity:
262
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:
1
Isotope Atom Count:
0
Molecular Weight:
200.193g/mol
Monoisotopic Mass:
200.047g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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