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1310381-54-4 | 3-Oxetaneacetic acid
CAS No: 1310381-54-4 Catalog No: AG000VD6 MDL No:MFCD19442256
Product Description
Catalog Number:
AG000VD6
Chemical Name:
3-Oxetaneacetic acid
CAS Number:
1310381-54-4
Molecular Formula:
C5H8O3
Molecular Weight:
116.1152
MDL Number:
MFCD19442256
IUPAC Name:
2-(oxetan-3-yl)acetic acid
InChI:
InChI=1S/C5H8O3/c6-5(7)1-4-2-8-3-4/h4H,1-3H2,(H,6,7)
InChI Key:
FSJPCGQVHNWRGI-UHFFFAOYSA-N
SMILES:
OC(=O)CC1COC1
Properties
Complexity:
95.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
116.047g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
116.116g/mol
Monoisotopic Mass:
116.047g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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