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61129-28-0 | 3-benzyloxolan-2-one
CAS No: 61129-28-0 Catalog No: AG01BVK8 MDL No:MFCD27926305
Product Description
Catalog Number:
AG01BVK8
Chemical Name:
3-benzyloxolan-2-one
CAS Number:
61129-28-0
Molecular Formula:
C11H12O2
Molecular Weight:
176.2118
MDL Number:
MFCD27926305
IUPAC Name:
3-benzyloxolan-2-one
InChI:
InChI=1S/C11H12O2/c12-11-10(6-7-13-11)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2
InChI Key:
FWTJDTQXENOXPC-UHFFFAOYSA-N
SMILES:
O=C1OCCC1Cc1ccccc1
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.215g/mol
Monoisotopic Mass:
176.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| Bioactive aromatic derivatives from endophytic fungus, Cytospora sp. | Natural product communications 20110501 |
| Intramolecular Michael addition reaction for the synthesis of benzylbutyrolactones. | Organic & biomolecular chemistry 20100721 |
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