Home Other Building Blocks 4-cyclopropylbutan-2-one

4-cyclopropylbutan-2-one

CAS No.:
2046-23-3
Catalog Number:
AG01ACOJ
Molecular Formula:
C7H12O
Molecular Weight:
112.1696
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Product Description
Catalog Number:
AG01ACOJ
Chemical Name:
4-cyclopropylbutan-2-one
CAS Number:
2046-23-3
Molecular Formula:
C7H12O
Molecular Weight:
112.1696
MDL Number:
MFCD20336759
IUPAC Name:
4-cyclopropylbutan-2-one
InChI:
InChI=1S/C7H12O/c1-6(8)2-3-7-4-5-7/h7H,2-5H2,1H3
InChI Key:
LPRBSWPDOZIDQE-UHFFFAOYSA-N
SMILES:
CC(=O)CCC1CC1
Properties
Complexity:
92.6  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.089g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
112.172g/mol
Monoisotopic Mass:
112.089g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties