Home Other Building Blocks 4-BENZYLOXY-6-INDOLE CARBOXYLIC ACID METHYL ESTER

4-BENZYLOXY-6-INDOLE CARBOXYLIC ACID METHYL ESTER

CAS No.:
61545-36-6
Catalog Number:
AG00EKZF
Molecular Formula:
C17H15NO3
Molecular Weight:
281.3059
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Product Description
Catalog Number:
AG00EKZF
Chemical Name:
4-BENZYLOXY-6-INDOLE CARBOXYLIC ACID METHYL ESTER
CAS Number:
61545-36-6
Molecular Formula:
C17H15NO3
Molecular Weight:
281.3059
MDL Number:
MFCD11110567
IUPAC Name:
methyl 4-phenylmethoxy-1H-indole-6-carboxylate
InChI:
InChI=1S/C17H15NO3/c1-20-17(19)13-9-15-14(7-8-18-15)16(10-13)21-11-12-5-3-2-4-6-12/h2-10,18H,11H2,1H3
InChI Key:
UFOBJRJIGGDCOI-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(OCc2ccccc2)c2c(c1)[nH]cc2
Properties
Complexity:
354  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.105g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
281.311g/mol
Monoisotopic Mass:
281.105g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties