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13052-99-8,MFCD00266138
Catalog No.:AA000UH5
13052-99-8 | 2-Naphthaleneacetic acid, 5,6,7,8-tetrahydro-
Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95.0%
3 weeks  
$238.00
- +
250mg
95.0%
3 weeks  
$328.00
- +
500mg
95.0%
3 weeks  
$598.00
- +
1g
95.0%
3 weeks  
$800.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA000UH5
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
Computed 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  

Synonyms
 
13052-99-8 
2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetic acid 
AC1L5GAJ 
AC1Q5VJ5 
AC1Q74YW 
AC1Q74ZJ 
SCHEMBL3838996 
CTK0I0838 
ALYBIMJZZHULRK-UHFFFAOYSA-N 
HMS1697O20 
ZINC4204792 
3586AD 
5,6,7,8-tetrahydronaphthalen-2-ylacetic acid 
BBL025618 
MFCD00266138 
NSC-21507 
SBB010833 
STL371931 
AKOS000111844 
AJ-48770 
BAS 12968470 
BS-13911 
DB-062753 
(5,6,7,8-Tetrahydro-naphthalen-2-yl)-acetic acid 
TR-004169 
FT-0677802 
ST50294385 
T7371 
EN300-11725 
(5,6,7,8-tetrahydronaphthalen-2-yl)acetic acid 
I04-4398 
2-Naphthylacetic acid 
C12H14O2 
AR-1G6062 
2-Naphthaleneacetic acid, 5,6,7,8-tetrahydro- 
CID228527 
151936-24-2 
581-96-4 
5,6,7,8-Tetrahydro-2-naphthaleneacetic acid 
2-Naphthaleneaceticacid, 5,6,7,8-tetrahydro- 
2-(1,2,3,4-Tetrahydronaphthalen-6-yl)acetic acid 
2-(2-5,6,7,8-tetrahydronaphthyl)acetic acid 
NSC21507 
Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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