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141498-84-2 | 1H-Pyrrole-2-carboxylic acid, 2,5-dihydro-5-oxo-, (2S)-
CAS No: 141498-84-2 Catalog No: AG001GHY MDL No:
Product Description
Catalog Number:
AG001GHY
Chemical Name:
1H-Pyrrole-2-carboxylic acid, 2,5-dihydro-5-oxo-, (2S)-
CAS Number:
141498-84-2
Molecular Formula:
C5H5NO3
Molecular Weight:
127.0981
IUPAC Name:
(2S)-5-oxo-1,2-dihydropyrrole-2-carboxylic acid
InChI:
InChI=1S/C5H5NO3/c7-4-2-1-3(6-4)5(8)9/h1-3H,(H,6,7)(H,8,9)/t3-/m0/s1
InChI Key:
BAQXAKWDKIIPEC-VKHMYHEASA-N
SMILES:
O=C1C=C[C@H](N1)C(=O)O
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
127.027g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
127.099g/mol
Monoisotopic Mass:
127.027g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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