Home Carboxys 2-(carboxymethyl)-1H-pyrrole-3-carboxylic acid

2-(carboxymethyl)-1H-pyrrole-3-carboxylic acid

CAS No.:
25472-38-2
Catalog Number:
AG01AKUG
Molecular Formula:
C7H7NO4
Molecular Weight:
169.1348
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Product Description
Catalog Number:
AG01AKUG
Chemical Name:
2-(carboxymethyl)-1H-pyrrole-3-carboxylic acid
CAS Number:
25472-38-2
Molecular Formula:
C7H7NO4
Molecular Weight:
169.1348
MDL Number:
MFCD20621112
IUPAC Name:
2-(carboxymethyl)-1H-pyrrole-3-carboxylic acid
InChI:
InChI=1S/C7H7NO4/c9-6(10)3-5-4(7(11)12)1-2-8-5/h1-2,8H,3H2,(H,9,10)(H,11,12)
InChI Key:
YASSGZAFJWNSPO-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1[nH]ccc1C(=O)O
Properties
Complexity:
204  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.038g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
169.136g/mol
Monoisotopic Mass:
169.038g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
90.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  
Properties