Home Carboxys Benzyl 3,5-dimethylpyrrole-2-carboxylate

Benzyl 3,5-dimethylpyrrole-2-carboxylate

CAS No.:
40236-19-9
Catalog Number:
AG00C70A
Molecular Formula:
C14H15NO2
Molecular Weight:
229.2744
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Product Description
Catalog Number:
AG00C70A
Chemical Name:
Benzyl 3,5-dimethylpyrrole-2-carboxylate
CAS Number:
40236-19-9
Molecular Formula:
C14H15NO2
Molecular Weight:
229.2744
MDL Number:
MFCD00185017
IUPAC Name:
benzyl 3,5-dimethyl-1H-pyrrole-2-carboxylate
InChI:
InChI=1S/C14H15NO2/c1-10-8-11(2)15-13(10)14(16)17-9-12-6-4-3-5-7-12/h3-8,15H,9H2,1-2H3
InChI Key:
UBZQULOXHJSJTI-UHFFFAOYSA-N
SMILES:
O=C(c1[nH]c(cc1C)C)OCc1ccccc1
Properties
Complexity:
261  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.11g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
229.279g/mol
Monoisotopic Mass:
229.11g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties