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1094654-47-3 | 3-(4-methyl-1H-indol-1-yl)propanoic acid
CAS No: 1094654-47-3 Catalog No: AG00HBIB MDL No:MFCD11212266
Product Description
Catalog Number:
AG00HBIB
Chemical Name:
3-(4-methyl-1H-indol-1-yl)propanoic acid
CAS Number:
1094654-47-3
Molecular Formula:
C12H13NO2
Molecular Weight:
203.2371
MDL Number:
MFCD11212266
IUPAC Name:
3-(4-methylindol-1-yl)propanoic acid
InChI:
InChI=1S/C12H13NO2/c1-9-3-2-4-11-10(9)5-7-13(11)8-6-12(14)15/h2-5,7H,6,8H2,1H3,(H,14,15)
InChI Key:
PASGHKFXXDYQMZ-UHFFFAOYSA-N
SMILES:
OC(=O)CCn1ccc2c1cccc2C
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:
1
Isotope Atom Count:
0
Molecular Weight:
203.241g/mol
Monoisotopic Mass:
203.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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