BENZ(c)ACRIDINE-3-beta,4-alpha-DIOL, 3,4-DIHYDRO-, trans-

HCID 53653

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Basic information

CAS: 77305-76-1
Standard SMILES: O[C@@H]1C=Cc2c(ccc3cc4ccccc4nc23)[C@H]1O
InChIKey: DUJHQVAFEIWFOY-NVXWUHKLSA-N
Molecular formula: C17H13NO2
Average molar mass: 263.29 g/mol
Monoisotopic mass: 263.09462866

Names & identifiers

Preferred name: BENZ(c)ACRIDINE-3-beta,4-alpha-DIOL, 3,4-DIHYDRO-, trans-
IUPAC: (3R,4R)-3,4-dihydrobenzo[c]acridine-3,4-diol

Names & synonyms

BENZ(c)ACRIDINE-3-beta,4-alpha-DIOL, 3,4-DIHYDRO-, trans-3UEK8U2BPZ77305-76-1trans-3,4-Dihydrobenz(c)acridine-3,4-diol3,4-Dihydrobenzo(C)acridine-3,4-diol, trans-CCRIS 5413TRANS-3,4-DIHYDROBENZ[C]ACRIDINE-3,4-DIOLBRN 4695183trans-3,4-Dihydrobenz(c)acridine-3-beta,4-alpha-diolUNII-3UEK8U2BPZ(3R,4R)-3,4-dihydrobenzo[c]acridine-3,4-diolDTXSID70228057

Database identifiers

CAS: 77305-76-1
PubChem CID: 53653
DTXSID: DTXSID70228057
UNII: 3UEK8U2BPZ

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 53.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 20
Formal charge: 0
Complexity: 396

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