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207556-14-7 | Tryptophan, 5-methyl-, hydrate (9CI)
CAS No: 207556-14-7 Catalog No: AG002J4Q MDL No:MFCD01457178
Product Description
Catalog Number:
AG002J4Q
Chemical Name:
Tryptophan, 5-methyl-, hydrate (9CI)
CAS Number:
207556-14-7
Molecular Formula:
C12H16N2O3
Molecular Weight:
236.2670
MDL Number:
MFCD01457178
IUPAC Name:
2-amino-3-(5-methyl-1H-indol-3-yl)propanoic acid;hydrate
InChI:
InChI=1S/C12H14N2O2.H2O/c1-7-2-3-11-9(4-7)8(6-14-11)5-10(13)12(15)16;/h2-4,6,10,14H,5,13H2,1H3,(H,15,16);1H2
InChI Key:
HNBOHOMNJSETLY-UHFFFAOYSA-N
SMILES:
Cc1cc2c(C[C@@H](C(=O)O)N)c[nH]c2cc1.O
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.116g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
236.271g/mol
Monoisotopic Mass:
236.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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