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123573-13-7 | 4-Isobenzofuranamine, 1,3-dihydro-1,1,3-trimethyl-
CAS No: 123573-13-7 Catalog No: AG000KTE MDL No:
Product Description
Catalog Number:
AG000KTE
Chemical Name:
4-Isobenzofuranamine, 1,3-dihydro-1,1,3-trimethyl-
CAS Number:
123573-13-7
Molecular Formula:
C11H15NO
Molecular Weight:
177.2429
IUPAC Name:
1,1,3-trimethyl-3H-2-benzofuran-4-amine
InChI:
InChI=1S/C11H15NO/c1-7-10-8(11(2,3)13-7)5-4-6-9(10)12/h4-7H,12H2,1-3H3
InChI Key:
KRXQEWRCMBAALH-UHFFFAOYSA-N
SMILES:
CC1OC(c2c1c(N)ccc2)(C)C
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.115g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.247g/mol
Monoisotopic Mass:
177.115g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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