AA72251
14464-10-9 | Benzyl 3-hydroxypropionate
Manufacturer: A2B Chem
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CatalogNumber
AA72251
ChemicalName
Benzyl 3-hydroxypropionate
CasNumber
14464-10-9
MolecularFormula
C10H12O3
MolecularWeight
180.2005
MdlNumber
MFCD00029657
Smiles
OCCC(=O)OCc1ccccc1
Complexity
150
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
1.2
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CatalogNumber: AA72251
ChemicalName: Benzyl 3-hydroxypropionate
CasNumber: 14464-10-9
MolecularFormula: C10H12O3
MolecularWeight: 180.2005
MdlNumber: MFCD00029657
Smiles: OCCC(=O)OCc1ccccc1
Complexity: 150
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 1.2
CatalogNumber:
AA72251
ChemicalName:
Benzyl 3-hydroxypropionate
CasNumber:
14464-10-9
MolecularFormula:
C10H12O3
MolecularWeight:
180.2005
MdlNumber:
MFCD00029657
Smiles:
OCCC(=O)OCc1ccccc1
Complexity:
150
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
1.2
CatalogNumber: AA72252
ChemicalName: (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(2-trityl-2H-tetrazol-5-yl)propanoic acid
CasNumber: 1446478-15-4
MolecularFormula: C38H31N5O4
MolecularWeight: 621.6838
MdlNumber: MFCD27922152
Smiles: O=C(N[C@H](C(=O)O)Cc1nnn(n1)C(c1ccccc1)(c1ccccc1)c1ccccc1)OCC1c2ccccc2-c2c1cccc2
Complexity: 974
Covalently-bondedUnitCount: 1
HeavyAtomCount: 47
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 2
RotatableBondCount: 11
Xlogp3: 7.7
CatalogNumber:
AA72252
ChemicalName:
(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(2-trityl-2H-tetrazol-5-yl)propanoic acid
CasNumber:
1446478-15-4
MolecularFormula:
C38H31N5O4
MolecularWeight:
621.6838
MdlNumber:
MFCD27922152
Smiles:
O=C(N[C@H](C(=O)O)Cc1nnn(n1)C(c1ccccc1)(c1ccccc1)c1ccccc1)OCC1c2ccccc2-c2c1cccc2
Complexity:
974
Covalently-bondedUnitCount:
1
HeavyAtomCount:
47
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
2
RotatableBondCount:
11
Xlogp3:
7.7
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Smiles: CCCC[Sn](c1ncc2c(n1)cccc2)(CCCC)CCCC
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Smiles:
CCCC[Sn](c1ncc2c(n1)cccc2)(CCCC)CCCC
Complexity:
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Smiles: CCCCCCCCCCCCC(Cc1ccsc1)CCCCCCCCCC
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Smiles:
CCCCCCCCCCCCC(Cc1ccsc1)CCCCCCCCCC
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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