sales@angenesci.com
Login | Register
logo
Structures Search
Home Carboxys 1-Benzyl-2,5-dimethyl-1h-pyrrole-3-carboxylic acid

1-Benzyl-2,5-dimethyl-1h-pyrrole-3-carboxylic acid

CAS No.:
3807-61-2
Catalog Number:
AG00CJAL
Molecular Formula:
C14H15NO2
Molecular Weight:
229.2744
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$125
- +
250mg
95%
In Stock USA
United States
$250
- +
1g
95%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG00CJAL
Chemical Name:
1-Benzyl-2,5-dimethyl-1h-pyrrole-3-carboxylic acid
CAS Number:
3807-61-2
Molecular Formula:
C14H15NO2
Molecular Weight:
229.2744
MDL Number:
MFCD03664121
IUPAC Name:
1-benzyl-2,5-dimethylpyrrole-3-carboxylic acid
InChI:
InChI=1S/C14H15NO2/c1-10-8-13(14(16)17)11(2)15(10)9-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H,16,17)
InChI Key:
YBCBUHIBNNSACV-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(n(c1C)Cc1ccccc1)C
Properties
Complexity:
273  
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:
3  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties