Home Other Building Blocks methyl 2-(2-formyl-1H-pyrrol-1-yl)acetate

methyl 2-(2-formyl-1H-pyrrol-1-yl)acetate

CAS No.:
148191-80-4
Catalog Number:
AG01A4PE
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
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Product Description
Catalog Number:
AG01A4PE
Chemical Name:
methyl 2-(2-formyl-1H-pyrrol-1-yl)acetate
CAS Number:
148191-80-4
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
MDL Number:
MFCD11909477
IUPAC Name:
methyl 2-(2-formylpyrrol-1-yl)acetate
InChI:
InChI=1S/C8H9NO3/c1-12-8(11)5-9-4-2-3-7(9)6-10/h2-4,6H,5H2,1H3
InChI Key:
FYYGHNZTBNVHGP-UHFFFAOYSA-N
SMILES:
COC(=O)Cn1cccc1C=O
Properties
Complexity:
181  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.058g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.164g/mol
Monoisotopic Mass:
167.058g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
48.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties