AD37770
36669-02-0 | Dimethyl 3-hydroxyphthalate
Manufacturer: A2B Chem
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CatalogNumber
AD37770
ChemicalName
Dimethyl 3-hydroxyphthalate
CasNumber
36669-02-0
MolecularFormula
C10H10O5
MolecularWeight
210.1834
MdlNumber
MFCD22490931
Smiles
COC(=O)c1c(O)cccc1C(=O)OC
Complexity
250
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
2.2
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CatalogNumber: AD37770
ChemicalName: Dimethyl 3-hydroxyphthalate
CasNumber: 36669-02-0
MolecularFormula: C10H10O5
MolecularWeight: 210.1834
MdlNumber: MFCD22490931
Smiles: COC(=O)c1c(O)cccc1C(=O)OC
Complexity: 250
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 2.2
CatalogNumber:
AD37770
ChemicalName:
Dimethyl 3-hydroxyphthalate
CasNumber:
36669-02-0
MolecularFormula:
C10H10O5
MolecularWeight:
210.1834
MdlNumber:
MFCD22490931
Smiles:
COC(=O)c1c(O)cccc1C(=O)OC
Complexity:
250
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
2.2
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Smiles: CCCCCCCCCCCCCOC(=O)CCCCCCCCCCC
Complexity: __
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HydrogenBondAcceptorCount: __
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RotatableBondCount: __
Xlogp3: __
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Smiles:
CCCCCCCCCCCCCOC(=O)CCCCCCCCCCC
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RotatableBondCount:
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Smiles: O=Cc1cn(nc1c1ccc(cc1)Cl)c1ccccc1
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Smiles:
O=Cc1cn(nc1c1ccc(cc1)Cl)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
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MolecularFormula: __
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Smiles: NC(=O)/C=C/c1cccs1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC(=O)/C=C/c1cccs1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__