AE79319
1218790-51-2 | (E)-4-(2-Cyano-3-ethoxy-3-oxoprop-1-enyl)phenylboronic acid, pinacol ester
Manufacturer: A2B Chem
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CatalogNumber
AE79319
ChemicalName
(E)-4-(2-Cyano-3-ethoxy-3-oxoprop-1-enyl)phenylboronic acid, pinacol ester
CasNumber
1218790-51-2
MolecularFormula
C18H22BNO4
MolecularWeight
327.1826
MdlNumber
MFCD11113044
Smiles
CCOC(=O)/C(=C/c1ccc(cc1)B1OC(C(O1)(C)C)(C)C)/C#N
Complexity
537
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
24
HydrogenBondAcceptorCount
5
RotatableBondCount
5
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CatalogNumber: AE79319
ChemicalName: (E)-4-(2-Cyano-3-ethoxy-3-oxoprop-1-enyl)phenylboronic acid, pinacol ester
CasNumber: 1218790-51-2
MolecularFormula: C18H22BNO4
MolecularWeight: 327.1826
MdlNumber: MFCD11113044
Smiles: CCOC(=O)/C(=C/c1ccc(cc1)B1OC(C(O1)(C)C)(C)C)/C#N
Complexity: 537
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 5
RotatableBondCount: 5
CatalogNumber:
AE79319
ChemicalName:
(E)-4-(2-Cyano-3-ethoxy-3-oxoprop-1-enyl)phenylboronic acid, pinacol ester
CasNumber:
1218790-51-2
MolecularFormula:
C18H22BNO4
MolecularWeight:
327.1826
MdlNumber:
MFCD11113044
Smiles:
CCOC(=O)/C(=C/c1ccc(cc1)B1OC(C(O1)(C)C)(C)C)/C#N
Complexity:
537
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
5
RotatableBondCount:
5
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Smiles: COc1cc(B2OC(C(O2)(C)C)(C)C)c2c(c1)cc[nH]2
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Smiles:
COc1cc(B2OC(C(O2)(C)C)(C)C)c2c(c1)cc[nH]2
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Smiles: OP1(=O)Oc2c(cc3c(c2-c2c(O1)c(cc1c2cccc1)c1ccc(cc1)C(C)(C)C)cccc3)c1ccc(cc1)C(C)(C)C.OP1(=O)Oc2c(cc3c(c2-c2c(O1)c(cc1c2cccc1)c1ccc(cc1)C(C)(C)C)cccc3)c1ccc(cc1)C(C)(C)C
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Smiles:
OP1(=O)Oc2c(cc3c(c2-c2c(O1)c(cc1c2cccc1)c1ccc(cc1)C(C)(C)C)cccc3)c1ccc(cc1)C(C)(C)C.OP1(=O)Oc2c(cc3c(c2-c2c(O1)c(cc1c2cccc1)c1ccc(cc1)C(C)(C)C)cccc3)c1ccc(cc1)C(C)(C)C
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Smiles: CC(C)(C)OC(=O)NC1CC(NC1)CO
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Smiles:
CC(C)(C)OC(=O)NC1CC(NC1)CO
Complexity:
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DefinedBondStereocenterCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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