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69810-51-1 | 1H-Pyrrole-2-carboxylicacid, 2,3-dihydro-, methyl ester
CAS No: 69810-51-1 Catalog No: AG005HO3 MDL No:
Product Description
Catalog Number:
AG005HO3
Chemical Name:
1H-Pyrrole-2-carboxylicacid, 2,3-dihydro-, methyl ester
CAS Number:
69810-51-1
Molecular Formula:
C6H9NO2
Molecular Weight:
127.1412
IUPAC Name:
methyl 2,3-dihydro-1H-pyrrole-2-carboxylate
InChI:
InChI=1S/C6H9NO2/c1-9-6(8)5-3-2-4-7-5/h2,4-5,7H,3H2,1H3
InChI Key:
KGOWJPZCBPFCEL-UHFFFAOYSA-N
SMILES:
COC(=O)C1CC=CN1
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.063g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
127.143g/mol
Monoisotopic Mass:
127.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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