CAS
93103-00-5 Purity
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93103-00-5 Purity
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Pyrrole-3-carboxylic acid
CAS
931-03-3
Catalog Number
ACM931033
Category
Other Products
Molecular Weight
111.1g/mol
Molecular Formula
C5H5NO2
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Specification
IUPAC Name
1H-pyrrole-3-carboxylic acid
Canonical SMILES
C1=CNC=C1C(=O)O
InChI
InChI=1S/C5H5NO2/c7-5(8)4-1-2-6-3-4/h1-3,6H,(H,7,8)
InChI Key
DOYOPBSXEIZLRE-UHFFFAOYSA-N
Complexity
103
Covalently-Bonded Unit Count
1
Exact Mass
111.032028g/mol
Formal Charge
0
H-Bond Acceptor
2
H-Bond Donor
2
Heavy Atom Count
8
Monoisotopic Mass
111.032028g/mol
Rotatable Bond Count
1
XLogP3
0.2
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