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113867-24-6 | 2-Naphthalenecarboxylic acid, 1,2,3,4-tetrahydro-4-oxo-, (2S)-
CAS No: 113867-24-6 Catalog No: AG0009Y1 MDL No:
Product Description
Catalog Number:
AG0009Y1
Chemical Name:
2-Naphthalenecarboxylic acid, 1,2,3,4-tetrahydro-4-oxo-, (2S)-
CAS Number:
113867-24-6
Molecular Formula:
C11H10O3
Molecular Weight:
190.1953
IUPAC Name:
(2S)-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxylic acid
InChI:
InChI=1S/C11H10O3/c12-10-6-8(11(13)14)5-7-3-1-2-4-9(7)10/h1-4,8H,5-6H2,(H,13,14)/t8-/m0/s1
InChI Key:
UYNMKOITXUEVCZ-QMMMGPOBSA-N
SMILES:
OC(=O)[C@@H]1CC(=O)c2c(C1)cccc2
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
190.063g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
190.198g/mol
Monoisotopic Mass:
190.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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