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18877-91-3

18877-91-3 | Carbamic acid, bis(1-methylethyl)-, [5-(phenylmethyl)-3-furanyl]methyl ester (9CI)

CAS No: 18877-91-3 Catalog No: AG002HA6 MDL No:

Product Description

Catalog Number:
AG002HA6
Chemical Name:
Carbamic acid, bis(1-methylethyl)-, [5-(phenylmethyl)-3-furanyl]methyl ester (9CI)
CAS Number:
18877-91-3
Molecular Formula:
C19H25NO3
Molecular Weight:
315.4067
IUPAC Name:
(5-benzylfuran-3-yl)methyl N,N-di(propan-2-yl)carbamate
InChI:
InChI=1S/C19H25NO3/c1-14(2)20(15(3)4)19(21)23-13-17-11-18(22-12-17)10-16-8-6-5-7-9-16/h5-9,11-12,14-15H,10,13H2,1-4H3
InChI Key:
ZYYMTCLWBZQTJY-UHFFFAOYSA-N
SMILES:
CC(N(C(=O)OCc1coc(c1)Cc1ccccc1)C(C)C)C

Properties

Complexity:
356  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.183g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.413g/mol
Monoisotopic Mass:
315.183g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
42.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9  

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