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1260817-77-3 | Carbamic acid, N-(2-oxocyclobutyl)-, 1,1-dimethylethyl ester
CAS No: 1260817-77-3 Catalog No: AG000RD8 MDL No:MFCD09751873
Product Description
Catalog Number:
AG000RD8
Chemical Name:
Carbamic acid, N-(2-oxocyclobutyl)-, 1,1-dimethylethyl ester
CAS Number:
1260817-77-3
Molecular Formula:
C9H15NO3
Molecular Weight:
185.2203
MDL Number:
MFCD09751873
IUPAC Name:
tert-butyl N-(2-oxocyclobutyl)carbamate
InChI:
InChI=1S/C9H15NO3/c1-9(2,3)13-8(12)10-6-4-5-7(6)11/h6H,4-5H2,1-3H3,(H,10,12)
InChI Key:
XLCYHPABMXGUFH-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC1CCC1=O
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.105g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
185.223g/mol
Monoisotopic Mass:
185.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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