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1136-87-4 | 1H-Indole-3-propanoic acid, 2-methyl-
CAS No: 1136-87-4 Catalog No: AG000942 MDL No:
Product Description
Catalog Number:
AG000942
Chemical Name:
1H-Indole-3-propanoic acid, 2-methyl-
CAS Number:
1136-87-4
Molecular Formula:
C12H13NO2
Molecular Weight:
203.2371
IUPAC Name:
3-(2-methyl-1H-indol-3-yl)propanoic acid
InChI:
InChI=1S/C12H13NO2/c1-8-9(6-7-12(14)15)10-4-2-3-5-11(10)13-8/h2-5,13H,6-7H2,1H3,(H,14,15)
InChI Key:
MVCHNOBEGHXCDV-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1c(C)[nH]c2c1cccc2
NSC Number:
119449
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
203.241g/mol
Monoisotopic Mass:
203.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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