AI54012
62935-72-2 | 7-Methoxycoumarin-4-acetic acid
Manufacturer: A2B Chem
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CatalogNumber
AI54012
ChemicalName
7-Methoxycoumarin-4-acetic acid
CasNumber
62935-72-2
MolecularFormula
C12H10O5
MolecularWeight
234.2048
MdlNumber
MFCD00009774
Smiles
COc1ccc2c(c1)oc(=O)cc2CC(=O)O
NscNumber
378137
Complexity
360
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.3
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CatalogNumber: AI54012
ChemicalName: 7-Methoxycoumarin-4-acetic acid
CasNumber: 62935-72-2
MolecularFormula: C12H10O5
MolecularWeight: 234.2048
MdlNumber: MFCD00009774
Smiles: COc1ccc2c(c1)oc(=O)cc2CC(=O)O
NscNumber: 378137
Complexity: 360
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.3
CatalogNumber:
AI54012
ChemicalName:
7-Methoxycoumarin-4-acetic acid
CasNumber:
62935-72-2
MolecularFormula:
C12H10O5
MolecularWeight:
234.2048
MdlNumber:
MFCD00009774
Smiles:
COc1ccc2c(c1)oc(=O)cc2CC(=O)O
NscNumber:
378137
Complexity:
360
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.3
CatalogNumber: AI54013
ChemicalName: Pikamilone sodium salt
CasNumber: 62936-56-5
MolecularFormula: C10H11N2NaO3
MolecularWeight: 230.1957
MdlNumber: MFCD00887262
Smiles: [O-]C(=O)CCCNC(=O)c1cccnc1.[Na+]
NscNumber: __
Complexity: 236
Covalently-bondedUnitCount: 2
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: __
CatalogNumber:
AI54013
ChemicalName:
Pikamilone sodium salt
CasNumber:
62936-56-5
MolecularFormula:
C10H11N2NaO3
MolecularWeight:
230.1957
MdlNumber:
MFCD00887262
Smiles:
[O-]C(=O)CCCNC(=O)c1cccnc1.[Na+]
NscNumber:
__
Complexity:
236
Covalently-bondedUnitCount:
2
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NC(=O)[C@H]1CCCN1
NscNumber: __
Complexity: 103
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: -0.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC(=O)[C@H]1CCCN1
NscNumber:
__
Complexity:
103
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
-0.9
CatalogNumber: AI54016
ChemicalName: 3-Chlorophthalide
CasNumber: 6295-21-2
MolecularFormula: C8H5ClO2
MolecularWeight: 168.5771
MdlNumber: MFCD00011556
Smiles: O=C1OC(c2c1cccc2)Cl
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AI54016
ChemicalName:
3-Chlorophthalide
CasNumber:
6295-21-2
MolecularFormula:
C8H5ClO2
MolecularWeight:
168.5771
MdlNumber:
MFCD00011556
Smiles:
O=C1OC(c2c1cccc2)Cl
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__