Home Other Building Blocks ethyl 2-oxo-2-(1H-pyrrol-2-yl)acetate

ethyl 2-oxo-2-(1H-pyrrol-2-yl)acetate

CAS No.:
27472-43-1
Catalog Number:
AG01A2CK
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
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Product Description
Catalog Number:
AG01A2CK
Chemical Name:
ethyl 2-oxo-2-(1H-pyrrol-2-yl)acetate
CAS Number:
27472-43-1
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
MDL Number:
MFCD20661272
IUPAC Name:
ethyl 2-oxo-2-(1H-pyrrol-2-yl)acetate
InChI:
InChI=1S/C8H9NO3/c1-2-12-8(11)7(10)6-4-3-5-9-6/h3-5,9H,2H2,1H3
InChI Key:
RRGFTCXFRSYMEQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=O)c1[nH]ccc1
NSC Number:
163807
Properties
Complexity:
191  
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:
1.1  
Properties