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FMOC-MEDBZ-OH

CAT: 1266-JH919335Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1266-JH919335Size:1 Each
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CAS Number
1788861-35-7
Molecular Formula
C23H20N2O4
Molecular Weight
388.42

Chemical Information

Fmoc-MeDbz-OH
CAS Number1788861-35-7
PubChem CID122379481
IUPAC Name3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(methylamino)benzoic acid
Molecular FormulaC23H20N2O4
Molecular Weight388.4
XLogP4.1
Topological Polar Surface Area87.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count29
Formal Charge0
Complexity575
SMILES
CNC1=C(C=C(C=C1)C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C23H20N2O4/c1-24-20-11-10-14(22(26)27)12-21(20)25-23(28)29-13-19-17-8-4-2-6-15(17)16-7-3-5-9-18(16)19/h2-12,19,24H,13H2,1H3,(H,25,28)(H,26,27)
InChIKey
YIRHQVZRKURGRG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Fmoc-MeDbz-OH
CAS: 1788861-35-7
CID: 122379481
Formula: C23H20N2O4
MW: 388.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight388.4
XLogP34.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass388.14230712
Monoisotopic Mass388.14230712
Topological Polar Surface Area87.7 Ų
Heavy Atom Count29
Formal Charge0
Complexity575
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes