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64502-67-6 | Benzoic acid, 5-(1-butyl-4,5,6,7-tetrahydro-1H-indol-2-yl)-2-hydroxy-
CAS No: 64502-67-6 Catalog No: AG00H6F7 MDL No:
Product Description
Catalog Number:
AG00H6F7
Chemical Name:
Benzoic acid, 5-(1-butyl-4,5,6,7-tetrahydro-1H-indol-2-yl)-2-hydroxy-
CAS Number:
64502-67-6
Molecular Formula:
C19H23NO3
Molecular Weight:
313.3908
IUPAC Name:
5-(1-butyl-4,5,6,7-tetrahydroindol-2-yl)-2-hydroxybenzoic acid
InChI:
InChI=1S/C19H23NO3/c1-2-3-10-20-16-7-5-4-6-13(16)12-17(20)14-8-9-18(21)15(11-14)19(22)23/h8-9,11-12,21H,2-7,10H2,1H3,(H,22,23)
InChI Key:
OSBVSHBIXVKJSK-UHFFFAOYSA-N
SMILES:
CCCCn1c(cc2c1CCCC2)c1ccc(c(c1)C(=O)O)O
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.168g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
313.397g/mol
Monoisotopic Mass:
313.168g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
62.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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