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2626-81-5 | Phenol, 2-(1,1-dimethylethyl)-, 1-(N-methylcarbamate)
CAS No: 2626-81-5 Catalog No: AG002SIE MDL No:
Product Description
Catalog Number:
AG002SIE
Chemical Name:
Phenol, 2-(1,1-dimethylethyl)-, 1-(N-methylcarbamate)
CAS Number:
2626-81-5
IUPAC Name:
(2-tert-butylphenyl) N-methylcarbamate
InChI:
InChI=1S/C12H17NO2/c1-12(2,3)9-7-5-6-8-10(9)15-11(14)13-4/h5-8H,1-4H3,(H,13,14)
InChI Key:
MCJHCFNLHXLNJW-UHFFFAOYSA-N
EC Number:
220-092-8
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.126g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.273g/mol
Monoisotopic Mass:
207.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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