Home Carboxys 3-(methoxycarbonyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid

3-(methoxycarbonyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid

CAS No.:
1251924-30-7
Catalog Number:
AG01A9WH
Molecular Formula:
C6H7NO5
Molecular Weight:
173.1235
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Product Description
Catalog Number:
AG01A9WH
Chemical Name:
3-(methoxycarbonyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
CAS Number:
1251924-30-7
Molecular Formula:
C6H7NO5
Molecular Weight:
173.1235
MDL Number:
MFCD16990625
IUPAC Name:
3-methoxycarbonyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid
InChI:
InChI=1S/C6H7NO5/c1-11-6(10)3-2-4(5(8)9)12-7-3/h4H,2H2,1H3,(H,8,9)
InChI Key:
MJNKHGCSKGJAAK-UHFFFAOYSA-N
SMILES:
COC(=O)C1=NOC(C1)C(=O)O
Properties
Complexity:
246  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.032g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
173.124g/mol
Monoisotopic Mass:
173.032g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
85.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  
Properties