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1335031-99-6 | tert-butyl N-[(1R,4Z,8S)-8-formylcyclooct-4-en-1-yl]carbamate
CAS No: 1335031-99-6 Catalog No: AG00IW7T MDL No:MFCD20481879
Product Description
Catalog Number:
AG00IW7T
Chemical Name:
tert-butyl N-[(1R,4Z,8S)-8-formylcyclooct-4-en-1-yl]carbamate
CAS Number:
1335031-99-6
Molecular Formula:
C14H23NO3
Molecular Weight:
253.3373
MDL Number:
MFCD20481879
IUPAC Name:
tert-butyl N-[(1R,4Z,8S)-8-formylcyclooct-4-en-1-yl]carbamate
InChI:
InChI=1S/C14H23NO3/c1-14(2,3)18-13(17)15-12-9-7-5-4-6-8-11(12)10-16/h4-5,10-12H,6-9H2,1-3H3,(H,15,17)/b5-4-/t11-,12-/m1/s1
InChI Key:
MQWFDBUONPZNGK-XLMCQVRKSA-N
SMILES:
O=C[C@H]1CCC=CCC[C@H]1NC(=O)OC(C)(C)C
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
1
Exact Mass:
253.168g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.342g/mol
Monoisotopic Mass:
253.168g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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