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1260838-06-9 | 1H-Indole-1,6-dicarboxylic acid, 2,3-dihydro-, 1-(phenylmethyl) ester
CAS No: 1260838-06-9 Catalog No: AG000REV MDL No:MFCD11520840
Product Description
Catalog Number:
AG000REV
Chemical Name:
1H-Indole-1,6-dicarboxylic acid, 2,3-dihydro-, 1-(phenylmethyl) ester
CAS Number:
1260838-06-9
Molecular Formula:
C17H14NO4-
Molecular Weight:
296.2974
MDL Number:
MFCD11520840
IUPAC Name:
1-phenylmethoxycarbonyl-2,3-dihydroindole-6-carboxylic acid
InChI:
InChI=1S/C17H15NO4/c19-16(20)14-7-6-13-8-9-18(15(13)10-14)17(21)22-11-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,19,20)
InChI Key:
PJUSESAJTTYGAR-UHFFFAOYSA-N
SMILES:
[O-]C(=O)c1ccc2c(c1)N(CC2)C(=O)OCc1ccccc1
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.1g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
297.31g/mol
Monoisotopic Mass:
297.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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