AB45176
31518-14-6 | 5,6-Dihydro-4H-pyran-2-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB45176
ChemicalName
5,6-Dihydro-4H-pyran-2-carboxylic acid
CasNumber
31518-14-6
MolecularFormula
C6H8O3
MolecularWeight
128.1259
MdlNumber
MFCD08437234
Smiles
OC(=O)C1=CCCCO1
Complexity
148
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
0.9
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CatalogNumber: AB45176
ChemicalName: 5,6-Dihydro-4H-pyran-2-carboxylic acid
CasNumber: 31518-14-6
MolecularFormula: C6H8O3
MolecularWeight: 128.1259
MdlNumber: MFCD08437234
Smiles: OC(=O)C1=CCCCO1
Complexity: 148
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 0.9
CatalogNumber:
AB45176
ChemicalName:
5,6-Dihydro-4H-pyran-2-carboxylic acid
CasNumber:
31518-14-6
MolecularFormula:
C6H8O3
MolecularWeight:
128.1259
MdlNumber:
MFCD08437234
Smiles:
OC(=O)C1=CCCCO1
Complexity:
148
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
0.9
CatalogNumber: AB45177
ChemicalName: 5,6-Dimethoxyindole-2-carboxylic acid
CasNumber: 88210-96-2
MolecularFormula: C11H11NO4
MolecularWeight: 221.2093
MdlNumber: MFCD00015459
Smiles: COc1cc2[nH]c(cc2cc1OC)C(=O)O
Complexity: 271
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 1.9
CatalogNumber:
AB45177
ChemicalName:
5,6-Dimethoxyindole-2-carboxylic acid
CasNumber:
88210-96-2
MolecularFormula:
C11H11NO4
MolecularWeight:
221.2093
MdlNumber:
MFCD00015459
Smiles:
COc1cc2[nH]c(cc2cc1OC)C(=O)O
Complexity:
271
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
1.9
CatalogNumber: AB45178
ChemicalName: 5,6-Dimethoxynicotinaldehyde
CasNumber: 52605-99-9
MolecularFormula: C8H9NO3
MolecularWeight: 167.162
MdlNumber: MFCD11857649
Smiles: COc1cc(C=O)cnc1OC
Complexity: 151
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 0.6
CatalogNumber:
AB45178
ChemicalName:
5,6-Dimethoxynicotinaldehyde
CasNumber:
52605-99-9
MolecularFormula:
C8H9NO3
MolecularWeight:
167.162
MdlNumber:
MFCD11857649
Smiles:
COc1cc(C=O)cnc1OC
Complexity:
151
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
0.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1cc2[nH]cnc2cc1C
Complexity: 147
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1cc2[nH]cnc2cc1C
Complexity:
147
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.4