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864373-47-7 | OXETANE-2-CARBOXYLIC ACID
CAS No: 864373-47-7 Catalog No: AG0035XY MDL No:MFCD08544406
Product Description
Catalog Number:
AG0035XY
Chemical Name:
OXETANE-2-CARBOXYLIC ACID
CAS Number:
864373-47-7
Molecular Formula:
C4H6O3
Molecular Weight:
102.0886
MDL Number:
MFCD08544406
IUPAC Name:
oxetane-2-carboxylic acid
InChI:
InChI=1S/C4H6O3/c5-4(6)3-1-2-7-3/h3H,1-2H2,(H,5,6)
InChI Key:
ZKCXAZCRQJSFTQ-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCO1
Properties
Complexity:
88.9
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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