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131172-72-0 | 1H-Indole-2-carboxylic acid, 1-ethenyl-4,5,6,7-tetrahydro-
CAS No: 131172-72-0 Catalog No: AG000VNH MDL No:MFCD02044364
Product Description
Catalog Number:
AG000VNH
Chemical Name:
1H-Indole-2-carboxylic acid, 1-ethenyl-4,5,6,7-tetrahydro-
CAS Number:
131172-72-0
Molecular Formula:
C11H13NO2
Molecular Weight:
191.2264
MDL Number:
MFCD02044364
IUPAC Name:
1-ethenyl-4,5,6,7-tetrahydroindole-2-carboxylic acid
InChI:
InChI=1S/C11H13NO2/c1-2-12-9-6-4-3-5-8(9)7-10(12)11(13)14/h2,7H,1,3-6H2,(H,13,14)
InChI Key:
IWDLLWMCEOXYHA-UHFFFAOYSA-N
SMILES:
C=Cn1c(cc2c1CCCC2)C(=O)O
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.095g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.23g/mol
Monoisotopic Mass:
191.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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