Home Other Building Blocks 1-ISOPROPYL-4-METHYL-1H-PYRROLE-3-CARBOXYLIC ACID

1-ISOPROPYL-4-METHYL-1H-PYRROLE-3-CARBOXYLIC ACID

CAS No.:
1330751-63-7
Catalog Number:
AG01BNTP
Molecular Formula:
C9H13NO2
Molecular Weight:
167.2050
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Product Description
Catalog Number:
AG01BNTP
Chemical Name:
1-ISOPROPYL-4-METHYL-1H-PYRROLE-3-CARBOXYLIC ACID
CAS Number:
1330751-63-7
Molecular Formula:
C9H13NO2
Molecular Weight:
167.2050
MDL Number:
MFCD19982048
IUPAC Name:
4-methyl-1-propan-2-ylpyrrole-3-carboxylic acid
InChI:
InChI=1S/C9H13NO2/c1-6(2)10-4-7(3)8(5-10)9(11)12/h4-6H,1-3H3,(H,11,12)
InChI Key:
RKETYQLYWCLNMU-UHFFFAOYSA-N
SMILES:
OC(=O)c1cn(cc1C)C(C)C
Properties
Complexity:
179  
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:
2  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties