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21573-10-4 | 1-Cyclopropyl-1,3-Butandione
CAS No: 21573-10-4 Catalog No: AG0038VZ MDL No:MFCD00511094
Product Description
Catalog Number:
AG0038VZ
Chemical Name:
1-Cyclopropyl-1,3-Butandione
CAS Number:
21573-10-4
Molecular Formula:
C7H10O2
Molecular Weight:
126.1531
MDL Number:
MFCD00511094
IUPAC Name:
1-cyclopropylbutane-1,3-dione
InChI:
InChI=1S/C7H10O2/c1-5(8)4-7(9)6-2-3-6/h6H,2-4H2,1H3
InChI Key:
KLCGMDWRXACELA-UHFFFAOYSA-N
SMILES:
O=C(C1CC1)CC(=O)C
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.068g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
126.155g/mol
Monoisotopic Mass:
126.068g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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