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143867-90-7 | 2-Naphthalenecarboxylic acid, 3-hydroxy-4-(hydroxymethyl)-
CAS No: 143867-90-7 Catalog No: AG001II4 MDL No:
Product Description
Catalog Number:
AG001II4
Chemical Name:
2-Naphthalenecarboxylic acid, 3-hydroxy-4-(hydroxymethyl)-
CAS Number:
143867-90-7
Molecular Formula:
C12H10O4
Molecular Weight:
218.2054
IUPAC Name:
3-hydroxy-4-(hydroxymethyl)naphthalene-2-carboxylic acid
InChI:
InChI=1S/C12H10O4/c13-6-10-8-4-2-1-3-7(8)5-9(11(10)14)12(15)16/h1-5,13-14H,6H2,(H,15,16)
InChI Key:
ASGOQGCARSGDJN-UHFFFAOYSA-N
SMILES:
OCc1c(O)c(cc2c1cccc2)C(=O)O
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.058g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
218.208g/mol
Monoisotopic Mass:
218.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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