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10265-70-0 | 1H-Indole-3-butanoic acid, sodium salt (1:1)
CAS No: 10265-70-0 Catalog No: AG00081O MDL No:
Product Description
Catalog Number:
AG00081O
Chemical Name:
1H-Indole-3-butanoic acid, sodium salt (1:1)
CAS Number:
10265-70-0
Molecular Formula:
C12H12NNaO2
Molecular Weight:
225.2190
IUPAC Name:
sodium;4-(1H-indol-3-yl)butanoate
InChI:
InChI=1S/C12H13NO2.Na/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11;/h1-2,5-6,8,13H,3-4,7H2,(H,14,15);/q;+1/p-1
InChI Key:
VBDSTGDTZFQGNC-UHFFFAOYSA-M
SMILES:
[O-]C(=O)CCCc1c[nH]c2c1cccc2.[Na+]
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.077g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.223g/mol
Monoisotopic Mass:
225.077g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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