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Home > Other Heterocycles > 1000933-99-2
1000933-99-2 | Carbamic acid, N-(2-hydroxyspiro[3.3]hept-6-yl)-, 1,1-dimethylethyl ester
CAS No: 1000933-99-2 Catalog No: AG0000W8 MDL No:MFCD09702342
Product Description
Catalog Number:
AG0000W8
Chemical Name:
Carbamic acid, N-(2-hydroxyspiro[3.3]hept-6-yl)-, 1,1-dimethylethyl ester
CAS Number:
1000933-99-2
Molecular Formula:
C12H21NO3
Molecular Weight:
227.3000
MDL Number:
MFCD09702342
IUPAC Name:
tert-butyl N-(2-hydroxyspiro[3.3]heptan-6-yl)carbamate
InChI:
InChI=1S/C12H21NO3/c1-11(2,3)16-10(15)13-8-4-12(5-8)6-9(14)7-12/h8-9,14H,4-7H2,1-3H3,(H,13,15)
InChI Key:
XBBQALZXPLXYDL-UHFFFAOYSA-N
SMILES:
OC1CC2(C1)CC(C2)NC(=O)OC(C)(C)C
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.152g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
227.304g/mol
Monoisotopic Mass:
227.152g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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