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144072-29-7 | Carbamic acid, N-[4-(hydroxymethyl)phenyl]-, 1,1-dimethylethyl ester
CAS No: 144072-29-7 Catalog No: AG001IV2 MDL No:MFCD04974271
Product Description
Catalog Number:
AG001IV2
Chemical Name:
Carbamic acid, N-[4-(hydroxymethyl)phenyl]-, 1,1-dimethylethyl ester
CAS Number:
144072-29-7
Molecular Formula:
C12H17NO3
Molecular Weight:
223.2683
MDL Number:
MFCD04974271
IUPAC Name:
tert-butyl N-[4-(hydroxymethyl)phenyl]carbamate
InChI:
InChI=1S/C12H17NO3/c1-12(2,3)16-11(15)13-10-6-4-9(8-14)5-7-10/h4-7,14H,8H2,1-3H3,(H,13,15)
InChI Key:
YQKDTZYYROHLMB-UHFFFAOYSA-N
SMILES:
OCc1ccc(cc1)NC(=O)OC(C)(C)C
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.121g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
223.272g/mol
Monoisotopic Mass:
223.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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