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1000058-38-7 | 1H-Indole-3-acetic acid, α-amino-1-methyl-
CAS No: 1000058-38-7 Catalog No: AG00009J MDL No:
Product Description
Catalog Number:
AG00009J
Chemical Name:
1H-Indole-3-acetic acid, α-amino-1-methyl-
CAS Number:
1000058-38-7
Molecular Formula:
C11H12N2O2
Molecular Weight:
204.2252
IUPAC Name:
2-amino-2-(1-methylindol-3-yl)acetic acid
InChI:
InChI=1S/C11H12N2O2/c1-13-6-8(10(12)11(14)15)7-4-2-3-5-9(7)13/h2-6,10H,12H2,1H3,(H,14,15)
InChI Key:
BQGLTWZZGBBPGT-UHFFFAOYSA-N
SMILES:
OC(=O)C(c1cn(c2c1cccc2)C)N
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.09g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
204.229g/mol
Monoisotopic Mass:
204.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6
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