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123050-98-6 | 2-Naphthaleneacetic acid, 6-hydroxy-α-methyl-, (αR)-
CAS No: 123050-98-6 Catalog No: AG000K0M MDL No:
Product Description
Catalog Number:
AG000K0M
Chemical Name:
2-Naphthaleneacetic acid, 6-hydroxy-α-methyl-, (αR)-
CAS Number:
123050-98-6
Molecular Formula:
C13H12O3
Molecular Weight:
216.2326
IUPAC Name:
(2R)-2-(6-hydroxynaphthalen-2-yl)propanoic acid
InChI:
InChI=1S/C13H12O3/c1-8(13(15)16)9-2-3-11-7-12(14)5-4-10(11)6-9/h2-8,14H,1H3,(H,15,16)/t8-/m1/s1
InChI Key:
XWJUDDGELKXYNO-MRVPVSSYSA-N
SMILES:
OC(=O)[C@@H](c1ccc2c(c1)ccc(c2)O)C
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
216.079g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
216.236g/mol
Monoisotopic Mass:
216.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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