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1217800-69-5 | 3-Oxetaneacetic acid, methyl ester
CAS No: 1217800-69-5 Catalog No: AG0015Z4 MDL No:MFCD18642557
Product Description
Catalog Number:
AG0015Z4
Chemical Name:
3-Oxetaneacetic acid, methyl ester
CAS Number:
1217800-69-5
Molecular Formula:
C6H10O3
Molecular Weight:
130.1418
MDL Number:
MFCD18642557
IUPAC Name:
methyl 2-(oxetan-3-yl)acetate
InChI:
InChI=1S/C6H10O3/c1-8-6(7)2-5-3-9-4-5/h5H,2-4H2,1H3
InChI Key:
CVAXOLXQNVHXOJ-UHFFFAOYSA-N
SMILES:
COC(=O)CC1COC1
Properties
Complexity:
107
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
130.063g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
130.143g/mol
Monoisotopic Mass:
130.063g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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