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87929-13-3 | 5-((2,3-DIHYDRO-6-METHOXY-1H-INDEN-1-YL)METHYL)-1H-TETRAZOLE
CAS No: 87929-13-3 Catalog No: AG004DNR MDL No:
Product Description
Catalog Number:
AG004DNR
Chemical Name:
5-((2,3-DIHYDRO-6-METHOXY-1H-INDEN-1-YL)METHYL)-1H-TETRAZOLE
CAS Number:
87929-13-3
Molecular Formula:
C12H14N4O
Molecular Weight:
230.2658
IUPAC Name:
5-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]-2H-tetrazole
InChI:
InChI=1S/C12H14N4O/c1-17-10-5-4-8-2-3-9(11(8)7-10)6-12-13-15-16-14-12/h4-5,7,9H,2-3,6H2,1H3,(H,13,14,15,16)
InChI Key:
LRRTVCHHCMDINI-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)C(CC2)Cc1nnn[nH]1
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.117g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.271g/mol
Monoisotopic Mass:
230.117g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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