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16168-93-7 | 1H-Pyrrole-2-carboxylic acid, 4-acetyl-
CAS No: 16168-93-7 Catalog No: AG001VSZ MDL No:MFCD02571849
Product Description
Catalog Number:
AG001VSZ
Chemical Name:
1H-Pyrrole-2-carboxylic acid, 4-acetyl-
CAS Number:
16168-93-7
Molecular Formula:
C7H7NO3
Molecular Weight:
153.1354
MDL Number:
MFCD02571849
IUPAC Name:
4-acetyl-1H-pyrrole-2-carboxylic acid
InChI:
InChI=1S/C7H7NO3/c1-4(9)5-2-6(7(10)11)8-3-5/h2-3,8H,1H3,(H,10,11)
InChI Key:
VVIPTQFODJDSQU-UHFFFAOYSA-N
SMILES:
CC(=O)c1c[nH]c(c1)C(=O)O
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.043g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
153.137g/mol
Monoisotopic Mass:
153.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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