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1335031-73-6 | tert-butyl N-[(1R,6S)-6-formylcyclohex-3-en-1-yl]carbamate
CAS No: 1335031-73-6 Catalog No: AG00IW7S MDL No:MFCD20481876
Product Description
Catalog Number:
AG00IW7S
Chemical Name:
tert-butyl N-[(1R,6S)-6-formylcyclohex-3-en-1-yl]carbamate
CAS Number:
1335031-73-6
Molecular Formula:
C12H19NO3
Molecular Weight:
225.2842
MDL Number:
MFCD20481876
IUPAC Name:
tert-butyl N-[(1R,6S)-6-formylcyclohex-3-en-1-yl]carbamate
InChI:
InChI=1S/C12H19NO3/c1-12(2,3)16-11(15)13-10-7-5-4-6-9(10)8-14/h4-5,8-10H,6-7H2,1-3H3,(H,13,15)/t9-,10-/m1/s1
InChI Key:
IQADRLITYVWXBL-NXEZZACHSA-N
SMILES:
O=C[C@H]1CC=CC[C@H]1NC(=O)OC(C)(C)C
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
225.136g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.288g/mol
Monoisotopic Mass:
225.136g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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