Home Carboxys 2-(cyclopropylmethyl)-4-methyl-1,3-oxazole-5-carboxylic acid

2-(cyclopropylmethyl)-4-methyl-1,3-oxazole-5-carboxylic acid

CAS No.:
1467840-47-6
Catalog Number:
AG01B1NM
Molecular Formula:
C9H11NO3
Molecular Weight:
181.1885
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Product Description
Catalog Number:
AG01B1NM
Chemical Name:
2-(cyclopropylmethyl)-4-methyl-1,3-oxazole-5-carboxylic acid
CAS Number:
1467840-47-6
Molecular Formula:
C9H11NO3
Molecular Weight:
181.1885
MDL Number:
MFCD21291542
IUPAC Name:
2-(cyclopropylmethyl)-4-methyl-1,3-oxazole-5-carboxylic acid
InChI:
InChI=1S/C9H11NO3/c1-5-8(9(11)12)13-7(10-5)4-6-2-3-6/h6H,2-4H2,1H3,(H,11,12)
InChI Key:
HSKDUEFPFDTNNT-UHFFFAOYSA-N
SMILES:
OC(=O)c1oc(nc1C)CC1CC1
Properties
Complexity:
215  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.074g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
181.191g/mol
Monoisotopic Mass:
181.074g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties