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21461-84-7 | (S)-5-Oxotetrahydrofuran-2-carboxylic acid
CAS No: 21461-84-7 Catalog No: AG003CHK MDL No:MFCD00064516
Product Description
Catalog Number:
AG003CHK
Chemical Name:
(S)-5-Oxotetrahydrofuran-2-carboxylic acid
CAS Number:
21461-84-7
Molecular Formula:
C5H6O4
Molecular Weight:
130.0987
MDL Number:
MFCD00064516
IUPAC Name:
(2S)-5-oxooxolane-2-carboxylic acid
InChI:
InChI=1S/C5H6O4/c6-4-2-1-3(9-4)5(7)8/h3H,1-2H2,(H,7,8)/t3-/m0/s1
InChI Key:
QVADRSWDTZDDGR-VKHMYHEASA-N
SMILES:
O=C1CC[C@H](O1)C(=O)O
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
130.027g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
130.099g/mol
Monoisotopic Mass:
130.027g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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