2-[4-(3-Hydroxypropyl)pyrazol-1-yl]acetic acid hydrochloride - CAS 1431965-20-6
Catalog: |
BB052636 |
Product Name: |
2-[4-(3-Hydroxypropyl)pyrazol-1-yl]acetic acid hydrochloride |
CAS: |
1431965-20-6 |
Synonyms: |
2-[4-(3-Hydroxypropyl)-1H-pyrazol-1-yl]acetic acid hydrochloride |
IUPAC Name: | 2-[4-(3-hydroxypropyl)pyrazol-1-yl]acetic acid;hydrochloride |
Molecular Weight: | 220.65 |
Molecular Formula: | C8H13ClN2O3 |
Canonical SMILES: | C1=C(C=NN1CC(=O)O)CCCO.Cl |
InChI: | InChI=1S/C8H12N2O3.ClH/c11-3-1-2-7-4-9-10(5-7)6-8(12)13;/h4-5,11H,1-3,6H2,(H,12,13);1H |
InChI Key: | LXFVMUFGWMRCQO-UHFFFAOYSA-N |
Complexity: | 175 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 220.06147 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 220.06147 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 75.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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