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851202-96-5,MFCD11848178
Catalog No.:AA004R6N
851202-96-5 | 3,4-Dihydro-2H-benzo[b][1,4]oxazine-7-carboxylic acid
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250mg
96%
in stock  
$245.00
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1g
96%
in stock  
$556.00
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Technical Information
Catalog Number:
AA004R6N
Chemical Name:
3,4-Dihydro-2H-benzo[b][1,4]oxazine-7-carboxylic acid
CAS Number:
851202-96-5
Molecular Formula:
C9H9NO3
Molecular Weight:
179.1727
MDL Number:
MFCD11848178
IUPAC Name:
3,4-dihydro-2H-1,4-benzoxazine-7-carboxylic acid
InChI:
InChI=1S/C9H9NO3/c11-9(12)6-1-2-7-8(5-6)13-4-3-10-7/h1-2,5,10H,3-4H2,(H,11,12)
InChI Key:
YCTDKGFOTACSHZ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)OCCN2
Properties
Computed Properties
 
Complexity:
207  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.058g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
179.175g/mol
Monoisotopic Mass:
179.058g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  

Synonyms
 
851202-96-5 
3,4-Dihydro-2H-benzo[b][1,4]oxazine-7-carboxylic acid 
KS-000007QI 
3164AC 
CD-464 
MFCD11848178 
ZINC75835135 
PB22561 
AS-34789 
AJ-121970 
CS-0051607 
Q-4518 
3,4-DIHYDRO-2H-BENZO[1,4]OXAZINE-7-CARBOXYLIC ACID 
2H-1,4-Benzoxazine-7-carboxylicacid, 3,4-dihydro- 
C9H9NO3 
3,4-DIHYDRO-2H-1,4-BENZOXAZINE-7-CARBOXYLIC ACID 
3,4-Dihydro-2H-benzo[1,4]oxazine-7-carboxylicacid 
2H-1,4-Benzoxazine-7-carboxylic acid, 3,4-dihydro- 
SCHEMBL4290086 
CTK3E7410 
DTXSID60695259 
YCTDKGFOTACSHZ-UHFFFAOYSA-N 
Literature
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