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17587-08-5 | 2H-Tetrazole-5-ethanol
CAS No: 17587-08-5 Catalog No: AG00218Y MDL No:MFCD03856019
Product Description
Catalog Number:
AG00218Y
Chemical Name:
2H-Tetrazole-5-ethanol
CAS Number:
17587-08-5
Molecular Formula:
C3H6N4O
Molecular Weight:
114.1059
MDL Number:
MFCD03856019
IUPAC Name:
2-(2H-tetrazol-5-yl)ethanol
InChI:
InChI=1S/C3H6N4O/c8-2-1-3-4-6-7-5-3/h8H,1-2H2,(H,4,5,6,7)
InChI Key:
HVKDTPAQOXWHHG-UHFFFAOYSA-N
SMILES:
OCCc1n[nH]nn1
NSC Number:
141936
Properties
Complexity:
68.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
114.054g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
114.108g/mol
Monoisotopic Mass:
114.054g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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