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101601-00-7 | 1H-Indole-3-acetic acid, α-oxo-5-(phenylmethoxy)-
CAS No: 101601-00-7 Catalog No: AG0004YU MDL No:MFCD11215448
Product Description
Catalog Number:
AG0004YU
Chemical Name:
1H-Indole-3-acetic acid, α-oxo-5-(phenylmethoxy)-
CAS Number:
101601-00-7
Molecular Formula:
C17H13NO4
Molecular Weight:
295.2894
MDL Number:
MFCD11215448
IUPAC Name:
2-oxo-2-(5-phenylmethoxy-1H-indol-3-yl)acetic acid
InChI:
InChI=1S/C17H13NO4/c19-16(17(20)21)14-9-18-15-7-6-12(8-13(14)15)22-10-11-4-2-1-3-5-11/h1-9,18H,10H2,(H,20,21)
InChI Key:
OLSKVXZVSAPWRO-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)c1c[nH]c2c1cc(OCc1ccccc1)cc2
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.084g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
295.294g/mol
Monoisotopic Mass:
295.084g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
79.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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