AA57498
13831-30-6 | Acetoxyacetic acid
Manufacturer: A2B Chem
The price for this product is unavailable. Please request a quote
CatalogNumber
AA57498
ChemicalName
Acetoxyacetic acid
CasNumber
13831-30-6
MolecularFormula
C4H6O4
MolecularWeight
118.088
MdlNumber
MFCD11977691
Smiles
CC(=O)OCC(=O)O
NscNumber
72984
Complexity
107
Covalently-bondedUnitCount
1
HeavyAtomCount
8
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
-0.3
Compare Similar Items
Show Difference
CatalogNumber: AA57498
ChemicalName: Acetoxyacetic acid
CasNumber: 13831-30-6
MolecularFormula: C4H6O4
MolecularWeight: 118.088
MdlNumber: MFCD11977691
Smiles: CC(=O)OCC(=O)O
NscNumber: 72984
Complexity: 107
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: -0.3
CatalogNumber:
AA57498
ChemicalName:
Acetoxyacetic acid
CasNumber:
13831-30-6
MolecularFormula:
C4H6O4
MolecularWeight:
118.088
MdlNumber:
MFCD11977691
Smiles:
CC(=O)OCC(=O)O
NscNumber:
72984
Complexity:
107
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
-0.3
CatalogNumber: AA57499
ChemicalName: tert-Butyl propiolate
CasNumber: 13831-03-3
MolecularFormula: C7H10O2
MolecularWeight: 126.1531
MdlNumber: MFCD00060100
Smiles: C#CC(=O)OC(C)(C)C
NscNumber: __
Complexity: 154
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 1.6
CatalogNumber:
AA57499
ChemicalName:
tert-Butyl propiolate
CasNumber:
13831-03-3
MolecularFormula:
C7H10O2
MolecularWeight:
126.1531
MdlNumber:
MFCD00060100
Smiles:
C#CC(=O)OC(C)(C)C
NscNumber:
__
Complexity:
154
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
1.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)C=CSCc1ccccc1
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)C=CSCc1ccccc1
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc(OC)ccc1CN1CCNC(=O)[C@H]1C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc(OC)ccc1CN1CCNC(=O)[C@H]1C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__