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141312-90-5 | 1H-Pyrrole-2-carboxylic acid, dihydro- (9CI)
CAS No: 141312-90-5 Catalog No: AG001G6S MDL No:
Product Description
Catalog Number:
AG001G6S
Chemical Name:
1H-Pyrrole-2-carboxylic acid, dihydro- (9CI)
CAS Number:
141312-90-5
Molecular Formula:
C5H7NO2
Molecular Weight:
113.1146
IUPAC Name:
2,3-dihydro-1H-pyrrole-2-carboxylic acid
InChI:
InChI=1S/C5H7NO2/c7-5(8)4-2-1-3-6-4/h1,3-4,6H,2H2,(H,7,8)
InChI Key:
NXOIMAMHRHDCFR-UHFFFAOYSA-N
SMILES:
OC(=O)C1CC=CN1
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
113.048g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
113.116g/mol
Monoisotopic Mass:
113.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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