Home Carboxys 1H-Pyrrole-2-carboxylic acid, 5-(aminomethyl)-, methyl ester

1H-Pyrrole-2-carboxylic acid, 5-(aminomethyl)-, methyl ester

CAS No.:
263382-27-0
Catalog Number:
AG002SSH
Molecular Formula:
C7H10N2O2
Molecular Weight:
154.1665
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Product Description
Catalog Number:
AG002SSH
Chemical Name:
1H-Pyrrole-2-carboxylic acid, 5-(aminomethyl)-, methyl ester
CAS Number:
263382-27-0
Molecular Formula:
C7H10N2O2
Molecular Weight:
154.1665
MDL Number:
MFCD13174856
IUPAC Name:
methyl 5-(aminomethyl)-1H-pyrrole-2-carboxylate
InChI:
InChI=1S/C7H10N2O2/c1-11-7(10)6-3-2-5(4-8)9-6/h2-3,9H,4,8H2,1H3
InChI Key:
XNERWJGKTKYMRU-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc([nH]1)CN
Properties
Complexity:
149  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.074g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
154.169g/mol
Monoisotopic Mass:
154.074g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
68.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Properties