AB23282
2345-51-9 | 3-Butynoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB23282
ChemicalName
3-Butynoic acid
CasNumber
2345-51-9
MolecularFormula
C4H4O2
MolecularWeight
84.0734
MdlNumber
MFCD02258494
Smiles
OC(=O)CC#C
Complexity
95.4
Covalently-bondedUnitCount
1
HeavyAtomCount
6
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
1
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CatalogNumber: AB23282
ChemicalName: 3-Butynoic acid
CasNumber: 2345-51-9
MolecularFormula: C4H4O2
MolecularWeight: 84.0734
MdlNumber: MFCD02258494
Smiles: OC(=O)CC#C
Complexity: 95.4
Covalently-bondedUnitCount: 1
HeavyAtomCount: 6
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
CatalogNumber:
AB23282
ChemicalName:
3-Butynoic acid
CasNumber:
2345-51-9
MolecularFormula:
C4H4O2
MolecularWeight:
84.0734
MdlNumber:
MFCD02258494
Smiles:
OC(=O)CC#C
Complexity:
95.4
Covalently-bondedUnitCount:
1
HeavyAtomCount:
6
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)C[Si](C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)C[Si](C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: AB23284
ChemicalName: 4-Acetoxybenzoic acid
CasNumber: 2345-34-8
MolecularFormula: C9H8O4
MolecularWeight: 180.15742000000003
MdlNumber: MFCD00002540
Smiles: CC(=O)Oc1ccc(cc1)C(=O)O
Complexity: 204
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
CatalogNumber:
AB23284
ChemicalName:
4-Acetoxybenzoic acid
CasNumber:
2345-34-8
MolecularFormula:
C9H8O4
MolecularWeight:
180.15742000000003
MdlNumber:
MFCD00002540
Smiles:
CC(=O)Oc1ccc(cc1)C(=O)O
Complexity:
204
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)CCC(Cl)(Cl)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)CCC(Cl)(Cl)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__