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1007516-30-4 | 1H-Pyrazole-4-propanol, 1-ethyl-
CAS No: 1007516-30-4 Catalog No: AG0002SX MDL No:MFCD08059737
Product Description
Catalog Number:
AG0002SX
Chemical Name:
1H-Pyrazole-4-propanol, 1-ethyl-
CAS Number:
1007516-30-4
Molecular Formula:
C8H14N2O
Molecular Weight:
154.2096
MDL Number:
MFCD08059737
IUPAC Name:
3-(1-ethylpyrazol-4-yl)propan-1-ol
InChI:
InChI=1S/C8H14N2O/c1-2-10-7-8(6-9-10)4-3-5-11/h6-7,11H,2-5H2,1H3
InChI Key:
RBDCVYLLOQIZIV-UHFFFAOYSA-N
SMILES:
OCCCc1cnn(c1)CC
Properties
Complexity:
108
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.111g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
154.213g/mol
Monoisotopic Mass:
154.111g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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