Home Carboxys 2,5-dimethyl-1-(oxan-3-yl)-1H-pyrrole-3-carboxylic acid

2,5-dimethyl-1-(oxan-3-yl)-1H-pyrrole-3-carboxylic acid

CAS No.:
1344295-04-0
Catalog Number:
AG01B5OJ
Molecular Formula:
C12H17NO3
Molecular Weight:
223.2683
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Product Description
Catalog Number:
AG01B5OJ
Chemical Name:
2,5-dimethyl-1-(oxan-3-yl)-1H-pyrrole-3-carboxylic acid
CAS Number:
1344295-04-0
Molecular Formula:
C12H17NO3
Molecular Weight:
223.2683
MDL Number:
MFCD18338535
IUPAC Name:
2,5-dimethyl-1-(oxan-3-yl)pyrrole-3-carboxylic acid
InChI:
InChI=1S/C12H17NO3/c1-8-6-11(12(14)15)9(2)13(8)10-4-3-5-16-7-10/h6,10H,3-5,7H2,1-2H3,(H,14,15)
InChI Key:
GSMINBPUFWCQJM-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(n(c1C)C1CCCOC1)C
Properties
Complexity:
269  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.121g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
223.272g/mol
Monoisotopic Mass:
223.121g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
51.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties