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1196053-06-1 | Carbamic acid, N-[(1R,2S)-2-(4-hydroxyphenyl)cyclopropyl]-, 1,1-dimethylethyl ester, rel-
CAS No: 1196053-06-1 Catalog No: AG000P9X MDL No:MFCD28501687
Product Description
Catalog Number:
AG000P9X
Chemical Name:
Carbamic acid, N-[(1R,2S)-2-(4-hydroxyphenyl)cyclopropyl]-, 1,1-dimethylethyl ester, rel-
CAS Number:
1196053-06-1
Molecular Formula:
C14H19NO3
Molecular Weight:
249.3056
MDL Number:
MFCD28501687
IUPAC Name:
tert-butyl N-[(1R,2S)-2-(4-hydroxyphenyl)cyclopropyl]carbamate
InChI:
InChI=1S/C14H19NO3/c1-14(2,3)18-13(17)15-12-8-11(12)9-4-6-10(16)7-5-9/h4-7,11-12,16H,8H2,1-3H3,(H,15,17)/t11-,12+/m0/s1
InChI Key:
UHGRVKQMNJTTRU-NWDGAFQWSA-N
SMILES:
O=C(OC(C)(C)C)N[C@@H]1C[C@H]1c1ccc(cc1)O
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
249.136g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
249.31g/mol
Monoisotopic Mass:
249.136g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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