Home Other Building Blocks 1-cyclopropyl-4-methoxybutane-1,3-dione

1-cyclopropyl-4-methoxybutane-1,3-dione

CAS No.:
121553-47-7
Catalog Number:
AG01B6LB
Molecular Formula:
C8H12O3
Molecular Weight:
156.1791
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01B6LB
Chemical Name:
1-cyclopropyl-4-methoxybutane-1,3-dione
CAS Number:
121553-47-7
Molecular Formula:
C8H12O3
Molecular Weight:
156.1791
MDL Number:
MFCD24238398
IUPAC Name:
1-cyclopropyl-4-methoxybutane-1,3-dione
InChI:
InChI=1S/C8H12O3/c1-11-5-7(9)4-8(10)6-2-3-6/h6H,2-5H2,1H3
InChI Key:
RTGNWSGDQHXYTG-UHFFFAOYSA-N
SMILES:
COCC(=O)CC(=O)C1CC1
Properties
Complexity:
170  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.079g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
156.181g/mol
Monoisotopic Mass:
156.079g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Properties