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87996-08-5 | 5H-Tetrazol-5-one, 1-(1,1-dimethylethyl)-1,4-dihydro-4-(4-pentenyl)-
CAS No: 87996-08-5 Catalog No: AG004NYY MDL No:
Product Description
Catalog Number:
AG004NYY
Chemical Name:
5H-Tetrazol-5-one, 1-(1,1-dimethylethyl)-1,4-dihydro-4-(4-pentenyl)-
CAS Number:
87996-08-5
Molecular Formula:
C10H18N4O
Molecular Weight:
210.2761
IUPAC Name:
1-tert-butyl-4-pent-4-enyltetrazol-5-one
InChI:
InChI=1S/C10H18N4O/c1-5-6-7-8-13-9(15)14(12-11-13)10(2,3)4/h5H,1,6-8H2,2-4H3
InChI Key:
FZWLNLVTUOVAFV-UHFFFAOYSA-N
SMILES:
C=CCCCn1nnn(c1=O)C(C)(C)C
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.148g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.281g/mol
Monoisotopic Mass:
210.148g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
48.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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