AB27204
25055-86-1 | 3-(3-Methyl-3H-diazirin-3-yl)propanoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB27204
ChemicalName
3-(3-Methyl-3H-diazirin-3-yl)propanoic acid
CasNumber
25055-86-1
MolecularFormula
C5H8N2O2
MolecularWeight
128.12921999999998
MdlNumber
MFCD19228230
Smiles
OC(=O)CCC1(C)N=N1
Complexity
158
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
0.4
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CatalogNumber: AB27204
ChemicalName: 3-(3-Methyl-3H-diazirin-3-yl)propanoic acid
CasNumber: 25055-86-1
MolecularFormula: C5H8N2O2
MolecularWeight: 128.12921999999998
MdlNumber: MFCD19228230
Smiles: OC(=O)CCC1(C)N=N1
Complexity: 158
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 0.4
CatalogNumber:
AB27204
ChemicalName:
3-(3-Methyl-3H-diazirin-3-yl)propanoic acid
CasNumber:
25055-86-1
MolecularFormula:
C5H8N2O2
MolecularWeight:
128.12921999999998
MdlNumber:
MFCD19228230
Smiles:
OC(=O)CCC1(C)N=N1
Complexity:
158
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
0.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: OCCC1(C)N=N1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
OCCC1(C)N=N1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: O=C(CCC(=O)[O-])NCCCOCCOCCOCCCNC(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
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Smiles:
O=C(CCC(=O)[O-])NCCCOCCOCCOCCCNC(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: Cl[Al]1Oc2c(/C=N/[C@H]3[C@H](/N=C/c4c(O1)c(cc(c4)C(C)(C)C)C(C)(C)C)CCCC3)cc(cc2C(C)(C)C)C(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cl[Al]1Oc2c(/C=N/[C@H]3[C@H](/N=C/c4c(O1)c(cc(c4)C(C)(C)C)C(C)(C)C)CCCC3)cc(cc2C(C)(C)C)C(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__