AB45430
627-91-8 | Monomethyl adipate
Manufacturer: A2B Chem
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CatalogNumber
AB45430
ChemicalName
Monomethyl adipate
CasNumber
627-91-8
MolecularFormula
C7H12O4
MolecularWeight
160.1678
MdlNumber
MFCD00004418
Smiles
COC(=O)CCCCC(=O)O
Complexity
141
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
6
Xlogp3
0.7
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CatalogNumber: AB45430
ChemicalName: Monomethyl adipate
CasNumber: 627-91-8
MolecularFormula: C7H12O4
MolecularWeight: 160.1678
MdlNumber: MFCD00004418
Smiles: COC(=O)CCCCC(=O)O
Complexity: 141
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 6
Xlogp3: 0.7
CatalogNumber:
AB45430
ChemicalName:
Monomethyl adipate
CasNumber:
627-91-8
MolecularFormula:
C7H12O4
MolecularWeight:
160.1678
MdlNumber:
MFCD00004418
Smiles:
COC(=O)CCCCC(=O)O
Complexity:
141
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
6
Xlogp3:
0.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc2c(n1)[nH]cc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc2c(n1)[nH]cc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB45432
ChemicalName: 6-Methoxyisoquinoline
CasNumber: 52986-70-6
MolecularFormula: C10H9NO
MolecularWeight: 159.1846
MdlNumber: MFCD04114861
Smiles: COc1ccc2c(c1)ccnc2
Complexity: 149
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 2.2
CatalogNumber:
AB45432
ChemicalName:
6-Methoxyisoquinoline
CasNumber:
52986-70-6
MolecularFormula:
C10H9NO
MolecularWeight:
159.1846
MdlNumber:
MFCD04114861
Smiles:
COc1ccc2c(c1)ccnc2
Complexity:
149
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
2.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc2c(c1)cccn2
Complexity: 149
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc2c(c1)cccn2
Complexity:
149
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.2