CAS
93404-33-2 Purity
96%
93404-33-2 Purity
96%
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1-Ethyl-2-pyridin-3-yl-1,2,3,4-tetrahydro-naphthalen-1-ol
CAS
93406-29-2
Catalog Number
ACM93406292
Category
Other Products
Molecular Weight
253.33886
Molecular Formula
C17H19NO
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Specification
Synonyms
1-ETHYL-2-PYRIDIN-3-YL-1,2,3,4-TETRAHYDRO-NAPHTHALEN-1-OL
IUPAC Name
1-ethyl-2-pyridin-3-yl-3,4-dihydro-2H-naphthalen-1-ol
Canonical SMILES
CCC1(C(CCC2=CC=CC=C21)C3=CN=CC=C3)O
InChI Key
QNUBWJVIBCWFKM-UHFFFAOYSA-N
H-Bond Acceptor
2
H-Bond Donor
1
What is the IUPAC name of the compound with the PubChem CID 11550593?
1-ethyl-2-pyridin-3-yl-3,4-dihydro-2H-naphthalen-1-ol
What is the molecular formula of the compound?
C17H19NO
What is the molecular weight of the compound?
253.34 g/mol
What is the InChI of the compound?
InChI=1S/C17H19NO/c1-2-17(19)15-8-4-3-6-13(15)9-10-16(17)14-7-5-11-18-12-14/h3-8,11-12,16,19H,2,9-10H2,1H3
What is the InChIKey of the compound?
QNUBWJVIBCWFKM-UHFFFAOYSA-N
What is the Canonical SMILES of the compound?
CCC1(C(CCC2=CC=CC=C21)C3=CN=CC=C3)O
How many hydrogen bond donor counts does the compound have?
1
How many hydrogen bond acceptor counts does the compound have?
2
What is the XLogP3-AA value of the compound?
2.9
Is the compound canonicalized?
Yes
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