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882847-29-2 | 4-[2-(FMOC-AMINO)ETHOXY]-BENZOIC ACID
CAS No: 882847-29-2 Catalog No: AG004A8Q MDL No:MFCD04112692
Product Description
Catalog Number:
AG004A8Q
Chemical Name:
4-[2-(FMOC-AMINO)ETHOXY]-BENZOIC ACID
CAS Number:
882847-29-2
Molecular Formula:
C24H21NO5
Molecular Weight:
403.4272
MDL Number:
MFCD04112692
IUPAC Name:
4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]benzoic acid
InChI:
InChI=1S/C24H21NO5/c26-23(27)16-9-11-17(12-10-16)29-14-13-25-24(28)30-15-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-12,22H,13-15H2,(H,25,28)(H,26,27)
InChI Key:
OHVLIOLJNXNLPK-UHFFFAOYSA-N
SMILES:
O=C(OCC1c2ccccc2c2c1cccc2)NCCOc1ccc(cc1)C(=O)O
Properties
Complexity:
566
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
403.142g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
403.434g/mol
Monoisotopic Mass:
403.142g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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