Home Carboxys 1-Benzylpyrrole-3-carboxylic acid ethyl ester

1-Benzylpyrrole-3-carboxylic acid ethyl ester

CAS No.:
128259-47-2
Catalog Number:
AG000XX9
Molecular Formula:
C14H15NO2
Molecular Weight:
229.2744
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
>95.0%(GC)
1 week
United States
$202
- +
5g
>95.0%(GC)
1 week
United States
$538
- +
Product Description
Catalog Number:
AG000XX9
Chemical Name:
1-Benzylpyrrole-3-carboxylic acid ethyl ester
CAS Number:
128259-47-2
Molecular Formula:
C14H15NO2
Molecular Weight:
229.2744
MDL Number:
MFCD06797056
IUPAC Name:
ethyl 1-benzylpyrrole-3-carboxylate
InChI:
InChI=1S/C14H15NO2/c1-2-17-14(16)13-8-9-15(11-13)10-12-6-4-3-5-7-12/h3-9,11H,2,10H2,1H3
InChI Key:
KSZAVNAKDOXZGJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccn(c1)Cc1ccccc1
Properties
Complexity:
249  
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:
0
Isotope Atom Count:
0
Molecular Weight:
229.279g/mol
Monoisotopic Mass:
229.11g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
31.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties