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1225347-14-7 | Carbamic acid, N-[2,2-dimethyl-5-[6-(phenylmethoxy)-2-naphthalenyl]-1,3-dioxan-5-yl]-, 1,1-dimethylethyl ester
CAS No: 1225347-14-7 Catalog No: AG0017EL MDL No:MFCD22571549
Product Description
Catalog Number:
AG0017EL
Chemical Name:
Carbamic acid, N-[2,2-dimethyl-5-[6-(phenylmethoxy)-2-naphthalenyl]-1,3-dioxan-5-yl]-, 1,1-dimethylethyl ester
CAS Number:
1225347-14-7
Molecular Formula:
C28H33NO5
Molecular Weight:
463.5653
MDL Number:
MFCD22571549
IUPAC Name:
tert-butyl N-[2,2-dimethyl-5-(6-phenylmethoxynaphthalen-2-yl)-1,3-dioxan-5-yl]carbamate
InChI:
InChI=1S/C28H33NO5/c1-26(2,3)34-25(30)29-28(18-32-27(4,5)33-19-28)23-13-11-22-16-24(14-12-21(22)15-23)31-17-20-9-7-6-8-10-20/h6-16H,17-19H2,1-5H3,(H,29,30)
InChI Key:
FYMQDFOUHONGQB-UHFFFAOYSA-N
SMILES:
O=C(NC1(COC(OC1)(C)C)c1ccc2c(c1)ccc(c2)OCc1ccccc1)OC(C)(C)C
Properties
Complexity:
671
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
463.236g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
463.574g/mol
Monoisotopic Mass:
463.236g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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