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1326566-41-9 | 1H-Pyrrole-2-carboxylic acid, 3-amino-, methyl ester
CAS No: 1326566-41-9 Catalog No: AG0010XW MDL No:MFCD20527567
Product Description
Catalog Number:
AG0010XW
Chemical Name:
1H-Pyrrole-2-carboxylic acid, 3-amino-, methyl ester
CAS Number:
1326566-41-9
Molecular Formula:
C6H8N2O2
Molecular Weight:
140.1399
MDL Number:
MFCD20527567
IUPAC Name:
methyl 3-amino-1H-pyrrole-2-carboxylate
InChI:
InChI=1S/C6H8N2O2/c1-10-6(9)5-4(7)2-3-8-5/h2-3,8H,7H2,1H3
InChI Key:
XEQCCHQDRJPUNM-UHFFFAOYSA-N
SMILES:
COC(=O)c1[nH]ccc1N
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.059g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
140.142g/mol
Monoisotopic Mass:
140.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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