8aH-naphthalene-1-carboxylic acid

C11H8O2 — CID 176533924

IUPAC8aH-naphthalene-1-carboxylic acid
SMILESO=C(O)C1=C=CC=C2C=CC=CC12
InChIInChI=1S/C11H8O2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-6,9H,(H,12,13)
InChIKeyGKVSXTXCMRUGGY-UHFFFAOYSA-N
MW172.18 g/mol
LogP1.83
Rot. Bonds1

About 8aH-naphthalene-1-carboxylic acid

8aH-naphthalene-1-carboxylic acid (PubChem CID 176533924) has the molecular formula C11H8O2 and a molecular weight of 172.18 g/mol. Its IUPAC name is 8aH-naphthalene-1-carboxylic acid.

Molecular Properties

Compound Name8aH-naphthalene-1-carboxylic acid
PubChem CID176533924
Molecular FormulaC11H8O2
Molecular Weight172.18 g/mol
Exact Mass172.05
IUPAC Name8aH-naphthalene-1-carboxylic acid
SMILESO=C(O)C1=C=CC=C2C=CC=CC12
InChIInChI=1S/C11H8O2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-6,9H,(H,12,13)
InChIKeyGKVSXTXCMRUGGY-UHFFFAOYSA-N
XLogP1.83
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

8aH-naphthalene-1-carboxamide
CID 176517042
2,4a-dihydroisoquinolin-2-ium-4-carboxylic acid chloride
CID 110177773
10aH-heptalen-1-one
CID 91586350
4aH-benzo[7]annulene;(E)-but-2-enedioic acid
CID 88793370
6-oxocyclohexa-2,4-diene-1-carboxylic acid
CID 53400811
8aH-naphthalene-1-carbonitrile
CID 152748322
3-oxo-8aH-quinoline-2-carboxylic acid
CID 57203361
6-sulfinylcyclohexa-2,4-diene-1-carboxylic acid
CID 88639766
12bH-benzo[a]anthracen-10-one
CID 87813275
cyclohepta-1,3,4,6-tetraene-1-carboxylic acid
CID 176522235
1-hydroxy-1-oxido-7aH-2,1-benzothiazol-1-ium
CID 88529047
ethyl 2,4a-dihydroisoquinolin-2-ium-4-carboxylate chloride
CID 110177775

Frequently Asked Questions

What is the IUPAC name of 8aH-naphthalene-1-carboxylic acid?
The IUPAC name of 8aH-naphthalene-1-carboxylic acid (CID 176533924) is 8aH-naphthalene-1-carboxylic acid.
What is the SMILES notation for 8aH-naphthalene-1-carboxylic acid?
The canonical SMILES for 8aH-naphthalene-1-carboxylic acid is O=C(O)C1=C=CC=C2C=CC=CC12.
What is the InChIKey of 8aH-naphthalene-1-carboxylic acid?
The InChIKey is GKVSXTXCMRUGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-6,9H,(H,12,13).
What are the key properties of 8aH-naphthalene-1-carboxylic acid?
8aH-naphthalene-1-carboxylic acid has a molecular weight of 172.18 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8aH-naphthalene-1-carboxylic acid is sourced from PubChem (CID 176533924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).