AB47805
1129-06-2 | 3-Cyclopropylbenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB47805
ChemicalName
3-Cyclopropylbenzoic acid
CasNumber
1129-06-2
MolecularFormula
C10H10O2
MolecularWeight
162.1852
MdlNumber
MFCD00626842
Smiles
OC(=O)c1cccc(c1)C1CC1
NscNumber
135140
Complexity
184
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.9
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CatalogNumber: AB47805
ChemicalName: 3-Cyclopropylbenzoic acid
CasNumber: 1129-06-2
MolecularFormula: C10H10O2
MolecularWeight: 162.1852
MdlNumber: MFCD00626842
Smiles: OC(=O)c1cccc(c1)C1CC1
NscNumber: 135140
Complexity: 184
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.9
CatalogNumber:
AB47805
ChemicalName:
3-Cyclopropylbenzoic acid
CasNumber:
1129-06-2
MolecularFormula:
C10H10O2
MolecularWeight:
162.1852
MdlNumber:
MFCD00626842
Smiles:
OC(=O)c1cccc(c1)C1CC1
NscNumber:
135140
Complexity:
184
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=Cc1cc(Br)ccc1C(=O)O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=Cc1cc(Br)ccc1C(=O)O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB47807
ChemicalName: 4-Cyclopropoxyphenylboronic acid
CasNumber: 871829-90-2
MolecularFormula: C9H11BO3
MolecularWeight: 177.9928
MdlNumber: MFCD08461663
Smiles: OB(c1ccc(cc1)OC1CC1)O
NscNumber: __
Complexity: 162
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: __
CatalogNumber:
AB47807
ChemicalName:
4-Cyclopropoxyphenylboronic acid
CasNumber:
871829-90-2
MolecularFormula:
C9H11BO3
MolecularWeight:
177.9928
MdlNumber:
MFCD08461663
Smiles:
OB(c1ccc(cc1)OC1CC1)O
NscNumber:
__
Complexity:
162
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: BrCc1ccc(cc1)Cl
NscNumber: __
Complexity: 77
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
BrCc1ccc(cc1)Cl
NscNumber:
__
Complexity:
77
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.4