AB45821
113020-21-6 | 1-(methoxycarbonyl)cyclopropane-1-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB45821
ChemicalName
1-(methoxycarbonyl)cyclopropane-1-carboxylic acid
CasNumber
113020-21-6
MolecularFormula
C6H8O4
MolecularWeight
144.1253
MdlNumber
MFCD06800496
Smiles
COC(=O)C1(CC1)C(=O)O
Complexity
180
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
0.2
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CatalogNumber: AB45821
ChemicalName: 1-(methoxycarbonyl)cyclopropane-1-carboxylic acid
CasNumber: 113020-21-6
MolecularFormula: C6H8O4
MolecularWeight: 144.1253
MdlNumber: MFCD06800496
Smiles: COC(=O)C1(CC1)C(=O)O
Complexity: 180
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.2
CatalogNumber:
AB45821
ChemicalName:
1-(methoxycarbonyl)cyclopropane-1-carboxylic acid
CasNumber:
113020-21-6
MolecularFormula:
C6H8O4
MolecularWeight:
144.1253
MdlNumber:
MFCD06800496
Smiles:
COC(=O)C1(CC1)C(=O)O
Complexity:
180
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: S=C=NC1CC1
Complexity: 89.7
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 2.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
S=C=NC1CC1
Complexity:
89.7
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.1
CatalogNumber: AB45823
ChemicalName: Cyclopropyl phenyl ketone
CasNumber: 3481-02-5
MolecularFormula: C10H10O
MolecularWeight: 146.1858
MdlNumber: MFCD00001294
Smiles: O=C(c1ccccc1)C1CC1
Complexity: 152
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: __
RotatableBondCount: 2
UndefinedAtomStereocenterCount: __
Xlogp3: 2.1
CatalogNumber:
AB45823
ChemicalName:
Cyclopropyl phenyl ketone
CasNumber:
3481-02-5
MolecularFormula:
C10H10O
MolecularWeight:
146.1858
MdlNumber:
MFCD00001294
Smiles:
O=C(c1ccccc1)C1CC1
Complexity:
152
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
__
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.1
CatalogNumber: AB45824
ChemicalName: Cyclopropylboronic acid
CasNumber: 411235-57-9
MolecularFormula: C3H7BO2
MolecularWeight: 85.8975
MdlNumber: MFCD04038750
Smiles: OB(C1CC1)O
Complexity: 50.8
Covalently-bondedUnitCount: 1
HeavyAtomCount: 6
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 1
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
AB45824
ChemicalName:
Cyclopropylboronic acid
CasNumber:
411235-57-9
MolecularFormula:
C3H7BO2
MolecularWeight:
85.8975
MdlNumber:
MFCD04038750
Smiles:
OB(C1CC1)O
Complexity:
50.8
Covalently-bondedUnitCount:
1
HeavyAtomCount:
6
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
__
Xlogp3:
__