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773122-10-4 | 1H-Indole-3-propanoicacid, b-amino-5-methoxy-
CAS No: 773122-10-4 Catalog No: AG00548C MDL No:
Product Description
Catalog Number:
AG00548C
Chemical Name:
1H-Indole-3-propanoicacid, b-amino-5-methoxy-
CAS Number:
773122-10-4
Molecular Formula:
C12H14N2O3
Molecular Weight:
234.2512
IUPAC Name:
3-amino-3-(5-methoxy-1H-indol-3-yl)propanoic acid
InChI:
InChI=1S/C12H14N2O3/c1-17-7-2-3-11-8(4-7)9(6-14-11)10(13)5-12(15)16/h2-4,6,10,14H,5,13H2,1H3,(H,15,16)
InChI Key:
YJNGFTJMNMKSIX-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c(c[nH]2)C(CC(=O)O)N
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.1g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
234.255g/mol
Monoisotopic Mass:
234.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
88.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.9
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