Home Carboxys tert-butyl 2-methyl-1H-pyrrole-3-carboxylate

tert-butyl 2-methyl-1H-pyrrole-3-carboxylate

CAS No.:
27172-05-0
Catalog Number:
AG01BARI
Molecular Formula:
C10H15NO2
Molecular Weight:
181.2316
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Product Description
Catalog Number:
AG01BARI
Chemical Name:
tert-butyl 2-methyl-1H-pyrrole-3-carboxylate
CAS Number:
27172-05-0
Molecular Formula:
C10H15NO2
Molecular Weight:
181.2316
MDL Number:
MFCD20663054
IUPAC Name:
tert-butyl 2-methyl-1H-pyrrole-3-carboxylate
InChI:
InChI=1S/C10H15NO2/c1-7-8(5-6-11-7)9(12)13-10(2,3)4/h5-6,11H,1-4H3
InChI Key:
BPQIDVFPUZKGHP-UHFFFAOYSA-N
SMILES:
O=C(c1cc[nH]c1C)OC(C)(C)C
Properties
Complexity:
196  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.11g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
181.235g/mol
Monoisotopic Mass:
181.11g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties