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13452-14-7,MFCD07787266
Catalog No.:AA003HI4
13452-14-7 | 2-Methyl-1,3-benzoxazole-6-carboxylic acid
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95+%
in stock  
$38.00
- +
5g
95+%
in stock  
$97.00
- +
25g
98%
in stock  
$456.00
- +
  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003HI4
Chemical Name:
2-Methyl-1,3-benzoxazole-6-carboxylic acid
CAS Number:
13452-14-7
Molecular Formula:
C9H7NO3
Molecular Weight:
177.1568
MDL Number:
MFCD07787266
IUPAC Name:
2-methyl-1,3-benzoxazole-6-carboxylic acid
InChI:
InChI=1S/C9H7NO3/c1-5-10-7-3-2-6(9(11)12)4-8(7)13-5/h2-4H,1H3,(H,11,12)
InChI Key:
GFYDDTFAVDJJAI-UHFFFAOYSA-N
SMILES:
Cc1nc2c(o1)cc(cc2)C(=O)O
Properties
Computed Properties
 
Complexity:
219  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.043g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
177.159g/mol
Monoisotopic Mass:
177.043g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  

Synonyms
 
2-methyl-1,3-benzoxazole-6-carboxylic acid 
13452-14-7 
CTK0H3319 
KS-00000CQN 
DTXSID30594220 
GFYDDTFAVDJJAI-UHFFFAOYSA-N 
ACT06480 
BCP27123 
2-Methylbenzoxazole-6-carboxylicAcid 
ANW-19638 
ZINC26894723 
AKOS005146441 
2-methylbenzo[d]oxazole-6-carboxylic acid 
2-methyl-6-benzoxazole carboxylic acid 
2-Methyl-benzoxazole-6-carboxylic Acid 
6-Benzoxazolecarboxylicacid, 2-methyl- 
AB42954 
CM-2152 
CS-W003439 
RP23853 
RTC-062957 
TRA0097602 
VO10019 
2-METHYLBENZOXAZOLE-6-CARBOXYLIC ACID 
WT82403 
2-Methylbenzo[d]oxazole-6-carboxylicacid 
AJ-82897 
AK-31920 
AM808096 
BR-31920 
EN000082 
SC-12727 
SY015995 
2-methyl-1,3-benzoxazol-6-carboxylic acid 
6-BENZOXAZOLECARBOXYLIC ACID, 2-METHYL- 
AB0035517 
AB1010236 
DB-014155 
ST2410105 
TC-062957 
4CH-015269 
FT-0657725 
X9879 
B-7177 
MFCD07787266 (97+%) 
C9H7NO3 
452M147 
4W-0404 
I14-3293 
J-509897 
2-methyl-1,3-benzoxazole-6-carboxylic acid, AldrichCPR 
Z1741975545 
A15203 
MFCD07787266 
ACMC-209buw 
KSC173G1T 
SCHEMBL703616 
Literature
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