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7463-94-7 | 2-Naphthalenecarboxylicacid, 1,2,3,4-tetrahydro-4-hydroxy-3-(hydroxymethyl)-
CAS No: 7463-94-7 Catalog No: AG005J21 MDL No:
Product Description
Catalog Number:
AG005J21
Chemical Name:
2-Naphthalenecarboxylicacid, 1,2,3,4-tetrahydro-4-hydroxy-3-(hydroxymethyl)-
CAS Number:
7463-94-7
Molecular Formula:
C12H14O4
Molecular Weight:
222.2372
IUPAC Name:
4-hydroxy-3-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
InChI:
InChI=1S/C12H14O4/c13-6-10-9(12(15)16)5-7-3-1-2-4-8(7)11(10)14/h1-4,9-11,13-14H,5-6H2,(H,15,16)
InChI Key:
HTSKZLAIMKMXNP-UHFFFAOYSA-N
SMILES:
OCC1C(Cc2c(C1O)cccc2)C(=O)O
NSC Number:
404763
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.089g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
222.24g/mol
Monoisotopic Mass:
222.089g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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