AB47182
51731-17-0 | (E)-4-methoxybut-3-en-2-one
Manufacturer: A2B Chem
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CatalogNumber
AB47182
ChemicalName
(E)-4-methoxybut-3-en-2-one
CasNumber
51731-17-0
MolecularFormula
C5H8O2
MolecularWeight
100.1158
MdlNumber
MFCD00008778
Smiles
CO/C=C/C(=O)C
Complexity
84.1
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
7
HydrogenBondAcceptorCount
2
RotatableBondCount
2
Xlogp3
0.2
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CatalogNumber: AB47182
ChemicalName: (E)-4-methoxybut-3-en-2-one
CasNumber: 51731-17-0
MolecularFormula: C5H8O2
MolecularWeight: 100.1158
MdlNumber: MFCD00008778
Smiles: CO/C=C/C(=O)C
Complexity: 84.1
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 7
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
Xlogp3: 0.2
CatalogNumber:
AB47182
ChemicalName:
(E)-4-methoxybut-3-en-2-one
CasNumber:
51731-17-0
MolecularFormula:
C5H8O2
MolecularWeight:
100.1158
MdlNumber:
MFCD00008778
Smiles:
CO/C=C/C(=O)C
Complexity:
84.1
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
7
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
Xlogp3:
0.2
CatalogNumber: AB47183
ChemicalName: trans-1,4-Cyclohexanediol
CasNumber: 6995-79-5
MolecularFormula: C6H12O2
MolecularWeight: 116.1583
MdlNumber: MFCD00063612
Smiles: O[C@@H]1CC[C@H](CC1)O
Complexity: 54.9
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: __
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 2
RotatableBondCount: __
Xlogp3: 0.2
CatalogNumber:
AB47183
ChemicalName:
trans-1,4-Cyclohexanediol
CasNumber:
6995-79-5
MolecularFormula:
C6H12O2
MolecularWeight:
116.1583
MdlNumber:
MFCD00063612
Smiles:
O[C@@H]1CC[C@H](CC1)O
Complexity:
54.9
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
__
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
2
RotatableBondCount:
__
Xlogp3:
0.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1OC(=O)[C@H]2[C@H]1CCCC2
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1OC(=O)[C@H]2[C@H]1CCCC2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB47185
ChemicalName: (1R,2R)-cyclohexane-1,2-diamine; 1,3-dioxa-2-platinacyclopentane-4,5-dione
CasNumber: 61825-94-3
MolecularFormula: C8H14N2O4Pt
MolecularWeight: 397.2858
MdlNumber: MFCD23381677
Smiles: O=C1O[Pt]OC1=O.NC1CCCCC1N
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AB47185
ChemicalName:
(1R,2R)-cyclohexane-1,2-diamine; 1,3-dioxa-2-platinacyclopentane-4,5-dione
CasNumber:
61825-94-3
MolecularFormula:
C8H14N2O4Pt
MolecularWeight:
397.2858
MdlNumber:
MFCD23381677
Smiles:
O=C1O[Pt]OC1=O.NC1CCCCC1N
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__