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114012-41-8 | oxetane-3-carboxylic acid
CAS No: 114012-41-8 Catalog No: AG000AAC MDL No:MFCD08669505
Product Description
Catalog Number:
AG000AAC
Chemical Name:
oxetane-3-carboxylic acid
CAS Number:
114012-41-8
Molecular Formula:
C4H6O3
Molecular Weight:
102.0886
MDL Number:
MFCD08669505
IUPAC Name:
oxetane-3-carboxylic acid
InChI:
InChI=1S/C4H6O3/c5-4(6)3-1-7-2-3/h3H,1-2H2,(H,5,6)
InChI Key:
UWOTZNQZPLAURK-UHFFFAOYSA-N
SMILES:
OC(=O)C1COC1
Properties
Complexity:
84.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
102.032g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
102.089g/mol
Monoisotopic Mass:
102.032g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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