Home Other Building Blocks METHYL (2,5-DIMETHYL-1H-PYRROL-1-YL)ACETATE

METHYL (2,5-DIMETHYL-1H-PYRROL-1-YL)ACETATE

CAS No.:
65766-97-4
Catalog Number:
AG01DWKV
Molecular Formula:
C9H13NO2
Molecular Weight:
167.2050
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Product Description
Catalog Number:
AG01DWKV
Chemical Name:
METHYL (2,5-DIMETHYL-1H-PYRROL-1-YL)ACETATE
CAS Number:
65766-97-4
Molecular Formula:
C9H13NO2
Molecular Weight:
167.2050
MDL Number:
MFCD02302082
IUPAC Name:
methyl 2-(2,5-dimethylpyrrol-1-yl)acetate
InChI:
InChI=1S/C9H13NO2/c1-7-4-5-8(2)10(7)6-9(11)12-3/h4-5H,6H2,1-3H3
InChI Key:
UVBXXMJPMRHURY-UHFFFAOYSA-N
SMILES:
COC(=O)Cn1c(C)ccc1C
Properties
Complexity:
160  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.095g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.208g/mol
Monoisotopic Mass:
167.095g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
31.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties