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87667-59-2 | (2S)-2-ACETAMIDO-3-(6-HYDROXY-1H-INDOL-3-YL)PROPANOIC ACID
CAS No: 87667-59-2 Catalog No: AG004KVE MDL No:
Product Description
Catalog Number:
AG004KVE
Chemical Name:
(2S)-2-ACETAMIDO-3-(6-HYDROXY-1H-INDOL-3-YL)PROPANOIC ACID
CAS Number:
87667-59-2
Molecular Formula:
C13H14N2O4
Molecular Weight:
262.2613
IUPAC Name:
(2S)-2-acetamido-3-(6-hydroxy-1H-indol-3-yl)propanoic acid
InChI:
InChI=1S/C13H14N2O4/c1-7(16)15-12(13(18)19)4-8-6-14-11-5-9(17)2-3-10(8)11/h2-3,5-6,12,14,17H,4H2,1H3,(H,15,16)(H,18,19)/t12-/m0/s1
InChI Key:
SRHPKORNWUUECV-LBPRGKRZSA-N
SMILES:
CC(=O)N[C@H](C(=O)O)Cc1c[nH]c2c1ccc(c2)O
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
262.095g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
262.265g/mol
Monoisotopic Mass:
262.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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