Home Carboxys 5-(1-methylcyclopropyl)-1,2-oxazole-3-carboxylic acid

5-(1-methylcyclopropyl)-1,2-oxazole-3-carboxylic acid

CAS No.:
1511995-75-7
Catalog Number:
AG01B6SM
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
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Product Description
Catalog Number:
AG01B6SM
Chemical Name:
5-(1-methylcyclopropyl)-1,2-oxazole-3-carboxylic acid
CAS Number:
1511995-75-7
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
MDL Number:
MFCD23904710
IUPAC Name:
5-(1-methylcyclopropyl)-1,2-oxazole-3-carboxylic acid
InChI:
InChI=1S/C8H9NO3/c1-8(2-3-8)6-4-5(7(10)11)9-12-6/h4H,2-3H2,1H3,(H,10,11)
InChI Key:
ZLGKVVPLBFAAPL-UHFFFAOYSA-N
SMILES:
OC(=O)c1noc(c1)C1(C)CC1
Properties
Complexity:
212  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.058g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
167.164g/mol
Monoisotopic Mass:
167.058g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties