Home Other Building Blocks methyl 2-(5-formyl-1H-pyrrol-2-yl)acetate

methyl 2-(5-formyl-1H-pyrrol-2-yl)acetate

CAS No.:
1529441-82-4
Catalog Number:
AG01EM7S
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
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Product Description
Catalog Number:
AG01EM7S
Chemical Name:
methyl 2-(5-formyl-1H-pyrrol-2-yl)acetate
CAS Number:
1529441-82-4
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
MDL Number:
MFCD31665982
IUPAC Name:
methyl 2-(5-formyl-1H-pyrrol-2-yl)acetate
InChI:
InChI=1S/C8H9NO3/c1-12-8(11)4-6-2-3-7(5-10)9-6/h2-3,5,9H,4H2,1H3
InChI Key:
QGRYICHBLFPPCH-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1ccc([nH]1)C=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:
1  
Isotope Atom Count:
0
Molecular Weight:
167.164g/mol
Monoisotopic Mass:
167.058g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
59.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties