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51856-79-2 | 1-Methylpyrrole-2-Acetic Acid Methyl Ester
CAS No: 51856-79-2 Catalog No: AG0032TD MDL No:MFCD00009752
Product Description
Catalog Number:
AG0032TD
Chemical Name:
1-Methylpyrrole-2-Acetic Acid Methyl Ester
CAS Number:
51856-79-2
Molecular Formula:
C8H11NO2
Molecular Weight:
153.1784
MDL Number:
MFCD00009752
IUPAC Name:
methyl 2-(1-methylpyrrol-2-yl)acetate
InChI:
InChI=1S/C8H11NO2/c1-9-5-3-4-7(9)6-8(10)11-2/h3-5H,6H2,1-2H3
InChI Key:
CGYVDYLHQYNGFC-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1cccn1C
EC Number:
257-478-0
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.079g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
153.181g/mol
Monoisotopic Mass:
153.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
31.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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