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100609-98-1 | 3-Oxetanemethanol, 3-ethyl-, phenylcarbamate (9CI)
CAS No: 100609-98-1 Catalog No: AG0002H5 MDL No:
Product Description
Catalog Number:
AG0002H5
Chemical Name:
3-Oxetanemethanol, 3-ethyl-, phenylcarbamate (9CI)
CAS Number:
100609-98-1
Molecular Formula:
C13H17NO3
Molecular Weight:
235.2790
IUPAC Name:
(3-ethyloxetan-3-yl)methanol;phenylcarbamic acid
InChI:
InChI=1S/C7H7NO2.C6H12O2/c9-7(10)8-6-4-2-1-3-5-6;1-2-6(3-7)4-8-5-6/h1-5,8H,(H,9,10);7H,2-5H2,1H3
InChI Key:
ZUWVDUOJUCLZKL-UHFFFAOYSA-N
SMILES:
CCC1(COC(=O)Nc2ccccc2)COC1
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.131g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
253.298g/mol
Monoisotopic Mass:
253.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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