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1464091-39-1 | 1H-Indole-4-propanoic acid, α-amino-, methyl ester, hydrochloride (1:1)
CAS No: 1464091-39-1 Catalog No: AG001DZO MDL No:
Product Description
Catalog Number:
AG001DZO
Chemical Name:
1H-Indole-4-propanoic acid, α-amino-, methyl ester, hydrochloride (1:1)
CAS Number:
1464091-39-1
Molecular Formula:
C12H15ClN2O2
Molecular Weight:
254.7127
IUPAC Name:
methyl 2-amino-3-(1H-indol-4-yl)propanoate;hydrochloride
InChI:
InChI=1S/C12H14N2O2.ClH/c1-16-12(15)10(13)7-8-3-2-4-11-9(8)5-6-14-11;/h2-6,10,14H,7,13H2,1H3;1H
InChI Key:
XALBXCWOGPXCNQ-UHFFFAOYSA-N
SMILES:
COC(=O)C(Cc1cccc2c1cc[nH]2)N.Cl
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.082g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
254.714g/mol
Monoisotopic Mass:
254.082g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
68.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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