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123986-64-1 | Carbamic acid, N-[[4-(hydroxymethyl)phenyl]methyl]-, 1,1-dimethylethyl ester
CAS No: 123986-64-1 Catalog No: AG000LB9 MDL No:MFCD06411553
Product Description
Catalog Number:
AG000LB9
Chemical Name:
Carbamic acid, N-[[4-(hydroxymethyl)phenyl]methyl]-, 1,1-dimethylethyl ester
CAS Number:
123986-64-1
Molecular Formula:
C13H19NO3
Molecular Weight:
237.2949
MDL Number:
MFCD06411553
IUPAC Name:
tert-butyl N-[[4-(hydroxymethyl)phenyl]methyl]carbamate
InChI:
InChI=1S/C13H19NO3/c1-13(2,3)17-12(16)14-8-10-4-6-11(9-15)7-5-10/h4-7,15H,8-9H2,1-3H3,(H,14,16)
InChI Key:
KUEPOWVQABAWRK-UHFFFAOYSA-N
SMILES:
OCc1ccc(cc1)CNC(=O)OC(C)(C)C
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.136g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
237.299g/mol
Monoisotopic Mass:
237.136g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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