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101-49-5 | 1,3-Dioxolane, 2-(phenylmethyl)-
CAS No: 101-49-5 Catalog No: AG0003F9 MDL No:MFCD00003215
Product Description
Catalog Number:
AG0003F9
Chemical Name:
1,3-Dioxolane, 2-(phenylmethyl)-
CAS Number:
101-49-5
Molecular Formula:
C10H12O2
Molecular Weight:
164.2011
MDL Number:
MFCD00003215
IUPAC Name:
2-benzyl-1,3-dioxolane
InChI:
InChI=1S/C10H12O2/c1-2-4-9(5-3-1)8-10-11-6-7-12-10/h1-5,10H,6-8H2
InChI Key:
SSZACLYPEFCREM-UHFFFAOYSA-N
SMILES:
C1COC(O1)Cc1ccccc1
EC Number:
202-946-1
NSC Number:
25480
Properties
Complexity:
124
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.084g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.204g/mol
Monoisotopic Mass:
164.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Design and Synthesis of Imidazopyrimidine Derivatives as Potent iNOS Dimerization Inhibitors. | The open medicinal chemistry journal 20090101 |
| Synthesis and structure-activity relationship of novel, highly potent metharyl and methcycloalkyl cyclooxygenase-2 (COX-2) selective inhibitors. | Journal of medicinal chemistry 20031204 |
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