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168539-99-9

168539-99-9 | Carbamic acid, N-(1-formylcyclopentyl)-, 1,1-dimethylethyl ester

CAS No: 168539-99-9 Catalog No: AG001Y4K MDL No:MFCD04973956

Product Description

Catalog Number:
AG001Y4K
Chemical Name:
Carbamic acid, N-(1-formylcyclopentyl)-, 1,1-dimethylethyl ester
CAS Number:
168539-99-9
Molecular Formula:
C11H19NO3
Molecular Weight:
213.2735
MDL Number:
MFCD04973956
IUPAC Name:
tert-butyl N-(1-formylcyclopentyl)carbamate
InChI:
InChI=1S/C11H19NO3/c1-10(2,3)15-9(14)12-11(8-13)6-4-5-7-11/h8H,4-7H2,1-3H3,(H,12,14)
InChI Key:
PJHYKFQYQMRNJR-UHFFFAOYSA-N
SMILES:
O=CC1(CCCC1)NC(=O)OC(C)(C)C

Properties

Complexity:
249  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.136g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
213.277g/mol
Monoisotopic Mass:
213.136g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  

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