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89078-42-2 | Carbamic acid, dimethyl-, 2-phenyl-1,3-dioxan-5-yl ester
CAS No: 89078-42-2 Catalog No: AG00406X MDL No:
Product Description
Catalog Number:
AG00406X
Chemical Name:
Carbamic acid, dimethyl-, 2-phenyl-1,3-dioxan-5-yl ester
CAS Number:
89078-42-2
Molecular Formula:
C13H17NO4
Molecular Weight:
251.2784
IUPAC Name:
(2-phenyl-1,3-dioxan-5-yl) N,N-dimethylcarbamate
InChI:
InChI=1S/C13H17NO4/c1-14(2)13(15)18-11-8-16-12(17-9-11)10-6-4-3-5-7-10/h3-7,11-12H,8-9H2,1-2H3
InChI Key:
OPXPQQNYYLNIGI-UHFFFAOYSA-N
SMILES:
O=C(N(C)C)OC1COC(OC1)c1ccccc1
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.116g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.282g/mol
Monoisotopic Mass:
251.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
48A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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