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138078-15-6 | Phenol, 2-(1-methylethoxy)-6-(1-methylethyl)-, methylcarbamate (9CI)
CAS No: 138078-15-6 Catalog No: AG0017YK MDL No:
Product Description
Catalog Number:
AG0017YK
Chemical Name:
Phenol, 2-(1-methylethoxy)-6-(1-methylethyl)-, methylcarbamate (9CI)
CAS Number:
138078-15-6
Molecular Formula:
C14H21NO3
Molecular Weight:
251.3214
IUPAC Name:
methylcarbamic acid;2-propan-2-yl-6-propan-2-yloxyphenol
InChI:
InChI=1S/C12H18O2.C2H5NO2/c1-8(2)10-6-5-7-11(12(10)13)14-9(3)4;1-3-2(4)5/h5-9,13H,1-4H3;3H,1H3,(H,4,5)
InChI Key:
UGEABOJTLXSLMM-UHFFFAOYSA-N
SMILES:
CNC(=O)Oc1c(cccc1C(C)C)OC(C)C
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.163g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
269.341g/mol
Monoisotopic Mass:
269.163g/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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