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172348-63-9 | tert-Butyl (trans-4-hydroxymethylcyclohexylmethyl)-carbamate
CAS No: 172348-63-9 Catalog No: AG0039ZG MDL No:MFCD06657666
Product Description
Catalog Number:
AG0039ZG
Chemical Name:
tert-Butyl (trans-4-hydroxymethylcyclohexylmethyl)-carbamate
CAS Number:
172348-63-9
Molecular Formula:
C13H25NO3
Molecular Weight:
243.3425
MDL Number:
MFCD06657666
IUPAC Name:
tert-butyl N-[[4-(hydroxymethyl)cyclohexyl]methyl]carbamate
InChI:
InChI=1S/C13H25NO3/c1-13(2,3)17-12(16)14-8-10-4-6-11(9-15)7-5-10/h10-11,15H,4-9H2,1-3H3,(H,14,16)
InChI Key:
KSXPGASLEFGROT-UHFFFAOYSA-N
SMILES:
OC[C@@H]1CC[C@H](CC1)CNC(=O)OC(C)(C)C
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.183g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
243.347g/mol
Monoisotopic Mass:
243.183g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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