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252049-03-9

252049-03-9 | Carbamic acid, [(1S,2S)-2-hydroxy-1-(hydroxymethyl)propyl]-, 9H-fluoren-9-ylmethyl ester (9CI)

CAS No: 252049-03-9 Catalog No: AG002QX3 MDL No:MFCD01318737

Product Description

Catalog Number:
AG002QX3
Chemical Name:
Carbamic acid, [(1S,2S)-2-hydroxy-1-(hydroxymethyl)propyl]-, 9H-fluoren-9-ylmethyl ester (9CI)
CAS Number:
252049-03-9
Molecular Formula:
C19H21NO4
Molecular Weight:
327.3743
MDL Number:
MFCD01318737
IUPAC Name:
9H-fluoren-9-ylmethyl N-[(2R,3S)-1,3-dihydroxybutan-2-yl]carbamate
InChI:
InChI=1S/C19H21NO4/c1-12(22)18(10-21)20-19(23)24-11-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,12,17-18,21-22H,10-11H2,1H3,(H,20,23)/t12-,18+/m0/s1
InChI Key:
YOKDHMTZJSRRIQ-KPZWWZAWSA-N
SMILES:
OC[C@@H]([C@@H](O)C)NC(=O)OCC1c2ccccc2c2c1cccc2

Properties

Complexity:
408  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
327.147g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
327.38g/mol
Monoisotopic Mass:
327.147g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

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