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124783-63-7 | Carbamic acid, N-pentacyclo[4.2.0.02,5.03,8.04,7]oct-1-yl-, 1,1-dimethylethyl ester
CAS No: 124783-63-7 Catalog No: AG000MQ3 MDL No:
Product Description
Catalog Number:
AG000MQ3
Chemical Name:
Carbamic acid, N-pentacyclo[4.2.0.02,5.03,8.04,7]oct-1-yl-, 1,1-dimethylethyl ester
CAS Number:
124783-63-7
Molecular Formula:
C13H17NO2
Molecular Weight:
219.2796
IUPAC Name:
tert-butyl N-cuban-1-ylcarbamate
InChI:
InChI=1S/C13H17NO2/c1-12(2,3)16-11(15)14-13-8-5-4-6(8)10(13)7(4)9(5)13/h4-10H,1-3H3,(H,14,15)
InChI Key:
NMAHXQAVLRHSCZ-UHFFFAOYSA-N
SMILES:
O=C(NC12C3C4C2C2C1C3C42)OC(C)(C)C
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.126g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.284g/mol
Monoisotopic Mass:
219.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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