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1026555-76-9 | Carbamic acid, N-[2-hydroxy-2-(3-methylphenyl)ethyl]-, 1,1-dimethylethyl ester
CAS No: 1026555-76-9 Catalog No: AG000812 MDL No:MFCD11849132
Product Description
Catalog Number:
AG000812
Chemical Name:
Carbamic acid, N-[2-hydroxy-2-(3-methylphenyl)ethyl]-, 1,1-dimethylethyl ester
CAS Number:
1026555-76-9
Molecular Formula:
C14H21NO3
Molecular Weight:
251.3214
MDL Number:
MFCD11849132
IUPAC Name:
tert-butyl N-[2-hydroxy-2-(3-methylphenyl)ethyl]carbamate
InChI:
InChI=1S/C14H21NO3/c1-10-6-5-7-11(8-10)12(16)9-15-13(17)18-14(2,3)4/h5-8,12,16H,9H2,1-4H3,(H,15,17)
InChI Key:
DVSSREJAEIGVLD-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCC(c1cccc(c1)C)O
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.152g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
251.326g/mol
Monoisotopic Mass:
251.152g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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