Home Carboxys methyl 2-(propan-2-yl)-1H-pyrrole-3-carboxylate

methyl 2-(propan-2-yl)-1H-pyrrole-3-carboxylate

CAS No.:
1803592-73-5
Catalog Number:
AG01B89T
Molecular Formula:
C9H13NO2
Molecular Weight:
167.2050
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01B89T
Chemical Name:
methyl 2-(propan-2-yl)-1H-pyrrole-3-carboxylate
CAS Number:
1803592-73-5
Molecular Formula:
C9H13NO2
Molecular Weight:
167.2050
MDL Number:
MFCD28383743
IUPAC Name:
methyl 2-propan-2-yl-1H-pyrrole-3-carboxylate
InChI:
InChI=1S/C9H13NO2/c1-6(2)8-7(4-5-10-8)9(11)12-3/h4-6,10H,1-3H3
InChI Key:
ZQFOQRVAFCDPPT-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc[nH]c1C(C)C
Properties
Complexity:
168  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.095g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
167.208g/mol
Monoisotopic Mass:
167.095g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties