AI30771
1341035-71-9 | Methyl 5-hydroxy-3-methoxy-2-naphthoate
Manufacturer: A2B Chem
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CatalogNumber
AI30771
ChemicalName
Methyl 5-hydroxy-3-methoxy-2-naphthoate
CasNumber
1341035-71-9
MolecularFormula
C13H12O4
MolecularWeight
232.232
MdlNumber
MFCD21362322
Smiles
COC(=O)c1cc2cccc(c2cc1OC)O
Complexity
279
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2.6
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CatalogNumber: AI30771
ChemicalName: Methyl 5-hydroxy-3-methoxy-2-naphthoate
CasNumber: 1341035-71-9
MolecularFormula: C13H12O4
MolecularWeight: 232.232
MdlNumber: MFCD21362322
Smiles: COC(=O)c1cc2cccc(c2cc1OC)O
Complexity: 279
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.6
CatalogNumber:
AI30771
ChemicalName:
Methyl 5-hydroxy-3-methoxy-2-naphthoate
CasNumber:
1341035-71-9
MolecularFormula:
C13H12O4
MolecularWeight:
232.232
MdlNumber:
MFCD21362322
Smiles:
COC(=O)c1cc2cccc(c2cc1OC)O
Complexity:
279
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C=C1COCCN(C1)Cc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C=C1COCCN(C1)Cc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AI30773
ChemicalName: 5-Bromo-1,2,3,4-tetrahydro-1,8-naphthyridine
CasNumber: 1341035-81-1
MolecularFormula: C8H9BrN2
MolecularWeight: 213.07446000000002
MdlNumber: MFCD20526680
Smiles: Brc1ccnc2c1CCCN2
Complexity: 140
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 2.3
CatalogNumber:
AI30773
ChemicalName:
5-Bromo-1,2,3,4-tetrahydro-1,8-naphthyridine
CasNumber:
1341035-81-1
MolecularFormula:
C8H9BrN2
MolecularWeight:
213.07446000000002
MdlNumber:
MFCD20526680
Smiles:
Brc1ccnc2c1CCCN2
Complexity:
140
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
2.3
CatalogNumber: AI30774
ChemicalName: tert-butyl 4,5-dihydro-2h-spiro[cyclopenta[c]pyrazole-6,4'-piperidine]-1'-carboxylate
CasNumber: 1341035-84-4
MolecularFormula: C15H23N3O2
MolecularWeight: 277.362
MdlNumber: MFCD20526761
Smiles: O=C(N1CCC2(CC1)CCc1c2n[nH]c1)OC(C)(C)C
Complexity: 383
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.1
CatalogNumber:
AI30774
ChemicalName:
tert-butyl 4,5-dihydro-2h-spiro[cyclopenta[c]pyrazole-6,4'-piperidine]-1'-carboxylate
CasNumber:
1341035-84-4
MolecularFormula:
C15H23N3O2
MolecularWeight:
277.362
MdlNumber:
MFCD20526761
Smiles:
O=C(N1CCC2(CC1)CCc1c2n[nH]c1)OC(C)(C)C
Complexity:
383
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.1