AA39083
13036-02-7 | Dimethyl 5-hydroxyisophthalate
Manufacturer: A2B Chem
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CatalogNumber
AA39083
ChemicalName
Dimethyl 5-hydroxyisophthalate
CasNumber
13036-02-7
MolecularFormula
C10H10O5
MolecularWeight
210.1834
MdlNumber
MFCD00134367
Smiles
COC(=O)c1cc(O)cc(c1)C(=O)OC
Complexity
226
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
1.3
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CatalogNumber: AA39083
ChemicalName: Dimethyl 5-hydroxyisophthalate
CasNumber: 13036-02-7
MolecularFormula: C10H10O5
MolecularWeight: 210.1834
MdlNumber: MFCD00134367
Smiles: COC(=O)c1cc(O)cc(c1)C(=O)OC
Complexity: 226
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 1.3
CatalogNumber:
AA39083
ChemicalName:
Dimethyl 5-hydroxyisophthalate
CasNumber:
13036-02-7
MolecularFormula:
C10H10O5
MolecularWeight:
210.1834
MdlNumber:
MFCD00134367
Smiles:
COC(=O)c1cc(O)cc(c1)C(=O)OC
Complexity:
226
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
1.3
CatalogNumber: AA39085
ChemicalName: Benzyl 3-oxocyclobutylcarbamate
CasNumber: 130369-36-7
MolecularFormula: C12H13NO3
MolecularWeight: 219.2365
MdlNumber: MFCD13152267
Smiles: O=C(NC1CC(=O)C1)OCc1ccccc1
Complexity: 263
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 1
CatalogNumber:
AA39085
ChemicalName:
Benzyl 3-oxocyclobutylcarbamate
CasNumber:
130369-36-7
MolecularFormula:
C12H13NO3
MolecularWeight:
219.2365
MdlNumber:
MFCD13152267
Smiles:
O=C(NC1CC(=O)C1)OCc1ccccc1
Complexity:
263
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
1
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Smiles: COC1(OC)CC(C1)(CO)CO
Complexity: __
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Smiles:
COC1(OC)CC(C1)(CO)CO
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: NCC1CC(C1)NC(=O)OC(C)(C)C
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Smiles:
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Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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