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1158098-77-1 | Carbamic acid, N-[3-(4-cyanophenyl)-3-oxetanyl]-, 1,1-dimethylethyl ester
CAS No: 1158098-77-1 Catalog No: AG000GVP MDL No:MFCD17215904
Product Description
Catalog Number:
AG000GVP
Chemical Name:
Carbamic acid, N-[3-(4-cyanophenyl)-3-oxetanyl]-, 1,1-dimethylethyl ester
CAS Number:
1158098-77-1
Molecular Formula:
C15H18N2O3
Molecular Weight:
274.3150
MDL Number:
MFCD17215904
IUPAC Name:
tert-butyl N-[3-(4-cyanophenyl)oxetan-3-yl]carbamate
InChI:
InChI=1S/C15H18N2O3/c1-14(2,3)20-13(18)17-15(9-19-10-15)12-6-4-11(8-16)5-7-12/h4-7H,9-10H2,1-3H3,(H,17,18)
InChI Key:
ZGGQPIIEGFSXAB-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)C1(COC1)NC(=O)OC(C)(C)C
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.132g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.32g/mol
Monoisotopic Mass:
274.132g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
71.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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