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1019208-03-7 | 2H-1,5,3-Dioxazepine, tetrahydro-3-(phenylmethyl)-
CAS No: 1019208-03-7 Catalog No: AG0005Y7 MDL No:
Product Description
Catalog Number:
AG0005Y7
Chemical Name:
2H-1,5,3-Dioxazepine, tetrahydro-3-(phenylmethyl)-
CAS Number:
1019208-03-7
Molecular Formula:
C11H15NO2
Molecular Weight:
193.2423
IUPAC Name:
3-benzyl-1,5,3-dioxazepane
InChI:
InChI=1S/C11H15NO2/c1-2-4-11(5-3-1)8-12-9-13-6-7-14-10-12/h1-5H,6-10H2
InChI Key:
RPCDMNZVBSZIGP-UHFFFAOYSA-N
SMILES:
O1CCOCN(C1)Cc1ccccc1
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.11g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.246g/mol
Monoisotopic Mass:
193.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
21.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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