(5-[Morpholin-4-yl(phenyl)methyl]-1H-tetrazol-1-yl)acetic acid - CAS 915922-69-9
Catalog: |
BB040261 |
Product Name: |
(5-[Morpholin-4-yl(phenyl)methyl]-1H-tetrazol-1-yl)acetic acid |
CAS: |
915922-69-9 |
Synonyms: |
2-[5-[morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]acetic acid |
IUPAC Name: | 2-[5-[morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]acetic acid |
Description: | (5-[Morpholin-4-yl(phenyl)methyl]-1H-tetrazol-1-yl)acetic acid (CAS# 915922-69-9) is a useful research chemical. |
Molecular Weight: | 303.32 |
Molecular Formula: | C14H17N5O3 |
Canonical SMILES: | C1COCCN1C(C2=CC=CC=C2)C3=NN=NN3CC(=O)O |
InChI: | InChI=1S/C14H17N5O3/c20-12(21)10-19-14(15-16-17-19)13(11-4-2-1-3-5-11)18-6-8-22-9-7-18/h1-5,13H,6-10H2,(H,20,21) |
InChI Key: | WJCGZMJZBWYCBG-UHFFFAOYSA-N |
Boiling Point: | 563.8 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.44 g/cm3 |
LogP: | 0.11720 |
Complexity: | 372 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 303.13313942 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 303.13313942 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 93.4 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -1.8 |
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