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Fmoc-iminodiacetic acid

CAT: 0926-FF49160-01Size: 10 gDry Ice: NoHazardous: No
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CAT#:0926-FF49160-01Size:10 g
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CAS Number
112918-82-8
Synonyms
Fmoc-Ida-OH
MDL Number
MFCD01321017
Smiles
C1=CC=C2C (=C1) C (C3=CC=CC=C32) COC (=O) N (CC (=O) O) CC (=O) O
Molecular Formula
C19H17NO6
Molecular Weight
355.34 g/mol
Controlled
No

Chemical Information

N-Fmoc-iminodiacetic acid
CAS Number112918-82-8
PubChem CID601361
IUPAC Name2-[carboxymethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid
Molecular FormulaC19H17NO6
Molecular Weight355.3
XLogP2.4
Topological Polar Surface Area104
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count26
Formal Charge0
Complexity512
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N(CC(=O)O)CC(=O)O
InChI
InChI=1S/C19H17NO6/c21-17(22)9-20(10-18(23)24)19(25)26-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16H,9-11H2,(H,21,22)(H,23,24)
InChIKey
LNHILYINDTUUMZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-Fmoc-iminodiacetic acid
CAS: 112918-82-8
CID: 601361
Formula: C19H17NO6
MW: 355.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight355.3
XLogP32.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass355.10558726
Monoisotopic Mass355.10558726
Topological Polar Surface Area104 Ų
Heavy Atom Count26
Formal Charge0
Complexity512
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