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13885-13-7 | Cyclopropaneacetic acid, α-oxo-
CAS No: 13885-13-7 Catalog No: AG0019PF MDL No:MFCD12024468
Product Description
Catalog Number:
AG0019PF
Chemical Name:
Cyclopropaneacetic acid, α-oxo-
CAS Number:
13885-13-7
Molecular Formula:
C5H6O3
Molecular Weight:
114.0993
MDL Number:
MFCD12024468
IUPAC Name:
2-cyclopropyl-2-oxoacetic acid
InChI:
InChI=1S/C5H6O3/c6-4(5(7)8)3-1-2-3/h3H,1-2H2,(H,7,8)
InChI Key:
LCSYJVAKMPOJIB-UHFFFAOYSA-N
SMILES:
O=C(C(=O)O)C1CC1
Properties
Complexity:
135
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
114.032g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
114.1g/mol
Monoisotopic Mass:
114.032g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
Literature
| Title | Journal |
|---|---|
| Cyclopropylhydroxycarbene. | Journal of the American Chemical Society 20110831 |
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