Home Other Building Blocks Ethanone, 1-(2,4,5-trimethyl-1H-pyrrol-3-yl)-

Ethanone, 1-(2,4,5-trimethyl-1H-pyrrol-3-yl)-

CAS No.:
19005-95-9
Catalog Number:
AG002EA7
Molecular Formula:
C9H13NO
Molecular Weight:
151.2056
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Product Description
Catalog Number:
AG002EA7
Chemical Name:
Ethanone, 1-(2,4,5-trimethyl-1H-pyrrol-3-yl)-
CAS Number:
19005-95-9
Molecular Formula:
C9H13NO
Molecular Weight:
151.2056
MDL Number:
MFCD01119094
IUPAC Name:
1-(2,4,5-trimethyl-1H-pyrrol-3-yl)ethanone
InChI:
InChI=1S/C9H13NO/c1-5-6(2)10-7(3)9(5)8(4)11/h10H,1-4H3
InChI Key:
XVBRWTVSTZYJIB-UHFFFAOYSA-N
SMILES:
CC(=O)c1c(C)[nH]c(c1C)C
UNII:
W5UKK6E72S
Properties
Complexity:
167  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.1g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
151.209g/mol
Monoisotopic Mass:
151.1g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties