Home Carboxys 4-methyl-1H,4H-pyrrolo[3,2-b]pyrrole-2-carboxylic acid

4-methyl-1H,4H-pyrrolo[3,2-b]pyrrole-2-carboxylic acid

CAS No.:
1007386-48-2
Catalog Number:
AG01BCDZ
Molecular Formula:
C8H8N2O2
Molecular Weight:
164.1613
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Product Description
Catalog Number:
AG01BCDZ
Chemical Name:
4-methyl-1H,4H-pyrrolo[3,2-b]pyrrole-2-carboxylic acid
CAS Number:
1007386-48-2
Molecular Formula:
C8H8N2O2
Molecular Weight:
164.1613
MDL Number:
MFCD16810526
IUPAC Name:
1-methyl-4H-pyrrolo[3,2-b]pyrrole-5-carboxylic acid
InChI:
InChI=1S/C8H8N2O2/c1-10-3-2-5-7(10)4-6(9-5)8(11)12/h2-4,9H,1H3,(H,11,12)
InChI Key:
MKNMFJGDGQHMER-UHFFFAOYSA-N
SMILES:
OC(=O)c1[nH]c2c(c1)n(cc2)C
Properties
Complexity:
207  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.059g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
164.164g/mol
Monoisotopic Mass:
164.059g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
58A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties