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26315-70-8 | 2-Naphthaleneacetic acid, 1,2,3,4-tetrahydro-6-hydroxy-
CAS No: 26315-70-8 Catalog No: AG002SOQ MDL No:
Product Description
Catalog Number:
AG002SOQ
Chemical Name:
2-Naphthaleneacetic acid, 1,2,3,4-tetrahydro-6-hydroxy-
CAS Number:
26315-70-8
Molecular Formula:
C12H14O3
Molecular Weight:
206.2378
IUPAC Name:
2-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetic acid
InChI:
InChI=1S/C12H14O3/c13-11-4-3-9-5-8(6-12(14)15)1-2-10(9)7-11/h3-4,7-8,13H,1-2,5-6H2,(H,14,15)
InChI Key:
HWRXEJHMMGESPC-UHFFFAOYSA-N
SMILES:
OC(=O)CC1CCc2c(C1)ccc(c2)O
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.094g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
206.241g/mol
Monoisotopic Mass:
206.094g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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