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6640-09-1 | 5-(Benzyloxy)-1H-indole-2-carboxylic acid
CAS No: 6640-09-1 Catalog No: AG003M6U MDL No:MFCD00047165
Product Description
Catalog Number:
AG003M6U
Chemical Name:
5-(Benzyloxy)-1H-indole-2-carboxylic acid
CAS Number:
6640-09-1
Molecular Formula:
C16H13NO3
Molecular Weight:
267.2793
MDL Number:
MFCD00047165
IUPAC Name:
5-phenylmethoxy-1H-indole-2-carboxylic acid
InChI:
InChI=1S/C16H13NO3/c18-16(19)15-9-12-8-13(6-7-14(12)17-15)20-10-11-4-2-1-3-5-11/h1-9,17H,10H2,(H,18,19)
InChI Key:
MVCLSAMNMAWXFQ-UHFFFAOYSA-N
SMILES:
OC(=O)c1[nH]c2c(c1)cc(cc2)OCc1ccccc1
EC Number:
229-652-6
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.09g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
267.284g/mol
Monoisotopic Mass:
267.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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