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127-17-3 | Propanoic acid, 2-oxo-
CAS No: 127-17-3 Catalog No: AG000WIG MDL No:MFCD00002585
Product Description
Catalog Number:
AG000WIG
Chemical Name:
Propanoic acid, 2-oxo-
CAS Number:
127-17-3
Molecular Formula:
C3H4O3
Molecular Weight:
88.0621
MDL Number:
MFCD00002585
IUPAC Name:
2-oxopropanoic acid
InChI:
InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)
InChI Key:
LCTONWCANYUPML-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)C
EC Number:
204-824-3
NSC Number:
179
FEMA Number:
2970
Properties
Complexity:
84
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
88.016g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
88.062g/mol
Monoisotopic Mass:
88.016g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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