Home Other Building Blocks 1-(1-methylcyclopropyl)butane-1,3-dione

1-(1-methylcyclopropyl)butane-1,3-dione

CAS No.:
1001204-72-3
Catalog Number:
AG01B97V
Molecular Formula:
C8H12O2
Molecular Weight:
140.1797
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Product Description
Catalog Number:
AG01B97V
Chemical Name:
1-(1-methylcyclopropyl)butane-1,3-dione
CAS Number:
1001204-72-3
Molecular Formula:
C8H12O2
Molecular Weight:
140.1797
MDL Number:
MFCD23870441
IUPAC Name:
1-(1-methylcyclopropyl)butane-1,3-dione
InChI:
InChI=1S/C8H12O2/c1-6(9)5-7(10)8(2)3-4-8/h3-5H2,1-2H3
InChI Key:
TVMNZCFYXCOIGC-UHFFFAOYSA-N
SMILES:
CC(=O)CC(=O)C1(C)CC1
Properties
Complexity:
178  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.084g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.182g/mol
Monoisotopic Mass:
140.084g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties