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198896-23-0 | Carbamic acid, N-[4-(3-hydroxypropyl)phenyl]-, 1,1-dimethylethyl ester
CAS No: 198896-23-0 Catalog No: AG002BSI MDL No:
Product Description
Catalog Number:
AG002BSI
Chemical Name:
Carbamic acid, N-[4-(3-hydroxypropyl)phenyl]-, 1,1-dimethylethyl ester
CAS Number:
198896-23-0
Molecular Formula:
C14H21NO3
Molecular Weight:
251.3214
IUPAC Name:
tert-butyl N-[4-(3-hydroxypropyl)phenyl]carbamate
InChI:
InChI=1S/C14H21NO3/c1-14(2,3)18-13(17)15-12-8-6-11(7-9-12)5-4-10-16/h6-9,16H,4-5,10H2,1-3H3,(H,15,17)
InChI Key:
VGZVDNZGYZZMCK-UHFFFAOYSA-N
SMILES:
OCCCc1ccc(cc1)NC(=O)OC(C)(C)C
Properties
Complexity:
252
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:
6
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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