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1242160-03-7 | Acetic acid, 2-(3-oxetanylidene)-, phenylmethyl ester
CAS No: 1242160-03-7 Catalog No: AG000LOT MDL No:MFCD20444447
Product Description
Catalog Number:
AG000LOT
Chemical Name:
Acetic acid, 2-(3-oxetanylidene)-, phenylmethyl ester
CAS Number:
1242160-03-7
Molecular Formula:
C12H12O3
Molecular Weight:
204.2219
MDL Number:
MFCD20444447
IUPAC Name:
benzyl 2-(oxetan-3-ylidene)acetate
InChI:
InChI=1S/C12H12O3/c13-12(6-11-7-14-8-11)15-9-10-4-2-1-3-5-10/h1-6H,7-9H2
InChI Key:
HHQLRHRBQDOIQS-UHFFFAOYSA-N
SMILES:
O=C(C=C1COC1)OCc1ccccc1
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.225g/mol
Monoisotopic Mass:
204.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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