AB49816
503-66-2 | 3-Hydroxypropionic Acid (contains varying amounts of 3,3-Oxydipropionic Acid)
Manufacturer: A2B Chem
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CatalogNumber
AB49816
ChemicalName
3-Hydroxypropionic Acid (contains varying amounts of 3,3-Oxydipropionic Acid)
CasNumber
503-66-2
MolecularFormula
C3H6O3
MolecularWeight
90.0779
MdlNumber
MFCD00058998
Smiles
OCCC(=O)O
Complexity
50
Covalently-bondedUnitCount
1
HeavyAtomCount
6
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
-1
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CatalogNumber: AB49816
ChemicalName: 3-Hydroxypropionic Acid (contains varying amounts of 3,3-Oxydipropionic Acid)
CasNumber: 503-66-2
MolecularFormula: C3H6O3
MolecularWeight: 90.0779
MdlNumber: MFCD00058998
Smiles: OCCC(=O)O
Complexity: 50
Covalently-bondedUnitCount: 1
HeavyAtomCount: 6
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: -1
CatalogNumber:
AB49816
ChemicalName:
3-Hydroxypropionic Acid (contains varying amounts of 3,3-Oxydipropionic Acid)
CasNumber:
503-66-2
MolecularFormula:
C3H6O3
MolecularWeight:
90.0779
MdlNumber:
MFCD00058998
Smiles:
OCCC(=O)O
Complexity:
50
Covalently-bondedUnitCount:
1
HeavyAtomCount:
6
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
-1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1c[nH]c2c1c(Cl)ccc2
Complexity: 222
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1c[nH]c2c1c(Cl)ccc2
Complexity:
222
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Fc1cnccc1Br
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Fc1cnccc1Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB49819
ChemicalName: Boc-D-Trp-OH
CasNumber: 5241-64-5
MolecularFormula: C16H20N2O4
MolecularWeight: 304.341
MdlNumber: MFCD00037944
Smiles: O=C(OC(C)(C)C)N[C@@H](C(=O)O)Cc1c[nH]c2c1cccc2
Complexity: 419
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 3
RotatableBondCount: 6
Xlogp3: 2
CatalogNumber:
AB49819
ChemicalName:
Boc-D-Trp-OH
CasNumber:
5241-64-5
MolecularFormula:
C16H20N2O4
MolecularWeight:
304.341
MdlNumber:
MFCD00037944
Smiles:
O=C(OC(C)(C)C)N[C@@H](C(=O)O)Cc1c[nH]c2c1cccc2
Complexity:
419
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
3
RotatableBondCount:
6
Xlogp3:
2