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13052-99-8 | 2-Naphthaleneacetic acid, 5,6,7,8-tetrahydro-
CAS No: 13052-99-8 Catalog No: AG000UJX MDL No:MFCD00266138
Product Description
Catalog Number:
AG000UJX
Chemical Name:
2-Naphthaleneacetic acid, 5,6,7,8-tetrahydro-
CAS Number:
13052-99-8
Molecular Formula:
C12H14O2
Molecular Weight:
190.2384
MDL Number:
MFCD00266138
IUPAC Name:
2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetic acid
InChI:
InChI=1S/C12H14O2/c13-12(14)8-9-5-6-10-3-1-2-4-11(10)7-9/h5-7H,1-4,8H2,(H,13,14)
InChI Key:
ALYBIMJZZHULRK-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccc2c(c1)CCCC2
NSC Number:
21507
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.099g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
190.242g/mol
Monoisotopic Mass:
190.099g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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