AB75685
1423134-61-5 | Methyl 3-(boc-amino)-3-(3-hydroxyphenyl)propanoate
Manufacturer: A2B Chem
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CatalogNumber
AB75685
ChemicalName
Methyl 3-(boc-amino)-3-(3-hydroxyphenyl)propanoate
CasNumber
1423134-61-5
MolecularFormula
C15H21NO5
MolecularWeight
295.3309
MdlNumber
MFCD27935388
Smiles
COC(=O)CC(c1cccc(c1)O)NC(=O)OC(C)(C)C
Complexity
364
Covalently-bondedUnitCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
7
UndefinedAtomStereocenterCount
1
Xlogp3
1.9
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CatalogNumber: AB75685
ChemicalName: Methyl 3-(boc-amino)-3-(3-hydroxyphenyl)propanoate
CasNumber: 1423134-61-5
MolecularFormula: C15H21NO5
MolecularWeight: 295.3309
MdlNumber: MFCD27935388
Smiles: COC(=O)CC(c1cccc(c1)O)NC(=O)OC(C)(C)C
Complexity: 364
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 7
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.9
CatalogNumber:
AB75685
ChemicalName:
Methyl 3-(boc-amino)-3-(3-hydroxyphenyl)propanoate
CasNumber:
1423134-61-5
MolecularFormula:
C15H21NO5
MolecularWeight:
295.3309
MdlNumber:
MFCD27935388
Smiles:
COC(=O)CC(c1cccc(c1)O)NC(=O)OC(C)(C)C
Complexity:
364
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
7
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.9
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Smiles: COC(=O)c1cccc(c1)C(=O)Cl
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Smiles:
COC(=O)c1cccc(c1)C(=O)Cl
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HydrogenBondAcceptorCount:
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Smiles: ClCc1cc(cc(c1)[N+](=O)[O-])C(=O)OC
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Smiles:
ClCc1cc(cc(c1)[N+](=O)[O-])C(=O)OC
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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UndefinedAtomStereocenterCount:
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Smiles: COC(=O)CCNC1CC1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
COC(=O)CCNC1CC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__