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Dimethyl 3,4-diazatricyclo(4.2.1.02,5)non-7-ene-3,4-dicarboxylate

HCID 6455083
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Basic information

CAS
65244-06-6
Standard SMILES
COC(=O)N1C2C3C=CC(C3)C2N1C(=O)OC
InChIKey
WITQEHXYNZSTPS-UHFFFAOYSA-N
Molecular formula
C11H14N2O4
Average molar mass
238.24 g/mol
Monoisotopic mass
238.09535693

Names & identifiers

Preferred name
Dimethyl 3,4-diazatricyclo(4.2.1.02,5)non-7-ene-3,4-dicarboxylate
IUPAC
dimethyl 3,4-diazatricyclo[4.2.1.02,5]non-7-ene-3,4-dicarboxylate
English name
dimethyl 3,4-diazatricyclo[4.2.1.02,5]non-7-ene-3,4-dicarboxylate
Molecular formula
C11H14N2O4
Molecular weight
238.24

Names & synonyms

EINECS 265-656-465244-06-6Dimethyl 3,4-diazatricyclo(4.2.1.02,5)non-7-ene-3,4-dicarboxylateDTXSID10983850WITQEHXYNZSTPS-UHFFFAOYSA-NNS00126325Dimethyl 3,4-diazatricyclo[4.2.1.0~2,5~]non-7-ene-3,4-dicarboxylatedimethyl 3,4-diazatricyclo[4.2.1.02,5]non-7-ene-3,4-dicarboxylate3,4-Diazatricyclo[4.2.1.02,5]non-7-ene-3,4-dicarboxylic acid dimethyl ester3,4-Diazatricyclo[4.2.1.02,5]non-7-ene-3,4-dicarboxylic acid, 3,4-dimethyl ester

Database identifiers

CAS
65244-06-6
PubChem CID
6455083
DTXSID
DTXSID10983850
EC Number
265-656-4
Nikkaji
J307.353J

Properties

Computed structural properties

XLogP
1
Topological polar surface area
59.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
17
Formal charge
0
Complexity
372

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Compound notes

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