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167298-40-0 | Carbamic acid, [(1S)-3-oxocyclopentyl]-, 1,1-dimethylethyl ester (9CI)
CAS No: 167298-40-0 Catalog No: AG001X93 MDL No:MFCD18089809
Product Description
Catalog Number:
AG001X93
Chemical Name:
Carbamic acid, [(1S)-3-oxocyclopentyl]-, 1,1-dimethylethyl ester (9CI)
CAS Number:
167298-40-0
Molecular Formula:
C10H17NO3
Molecular Weight:
199.2469
MDL Number:
MFCD18089809
IUPAC Name:
tert-butyl N-[(1S)-3-oxocyclopentyl]carbamate
InChI:
InChI=1S/C10H17NO3/c1-10(2,3)14-9(13)11-7-4-5-8(12)6-7/h7H,4-6H2,1-3H3,(H,11,13)/t7-/m0/s1
InChI Key:
CLOXAWYNXXEWBT-ZETCQYMHSA-N
SMILES:
O=C1CC[C@@H](C1)NC(=O)OC(C)(C)C
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
199.121g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
199.25g/mol
Monoisotopic Mass:
199.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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