AE12986
1076-99-9 | 4-(2-Propenyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AE12986
ChemicalName
4-(2-Propenyl)benzoic acid
CasNumber
1076-99-9
MolecularFormula
C10H10O2
MolecularWeight
162.1852
MdlNumber
MFCD02259925
Smiles
C=CCc1ccc(cc1)C(=O)O
Complexity
167
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
3.2
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CatalogNumber: AE12986
ChemicalName: 4-(2-Propenyl)benzoic acid
CasNumber: 1076-99-9
MolecularFormula: C10H10O2
MolecularWeight: 162.1852
MdlNumber: MFCD02259925
Smiles: C=CCc1ccc(cc1)C(=O)O
Complexity: 167
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3.2
CatalogNumber:
AE12986
ChemicalName:
4-(2-Propenyl)benzoic acid
CasNumber:
1076-99-9
MolecularFormula:
C10H10O2
MolecularWeight:
162.1852
MdlNumber:
MFCD02259925
Smiles:
C=CCc1ccc(cc1)C(=O)O
Complexity:
167
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: [O-]B([O-])[O-].[Al+3]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
[O-]B([O-])[O-].[Al+3]
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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MolecularFormula: __
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Smiles: NC(=O)CC[C@H](C(=O)O)NC(=O)OC(C1c2ccccc2-c2c1cccc2)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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Smiles:
NC(=O)CC[C@H](C(=O)O)NC(=O)OC(C1c2ccccc2-c2c1cccc2)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
__
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Smiles: c1ccc2c(c1)cc1c(c2)c2n3c1N=C1N=C(c4c1cc1ccccc1c4)N=c1n([Sn]3)c(=NC3=NC(=N2)c2cc4ccccc4cc32)c2c1cc1c(c2)cccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
c1ccc2c(c1)cc1c(c2)c2n3c1N=C1N=C(c4c1cc1ccccc1c4)N=c1n([Sn]3)c(=NC3=NC(=N2)c2cc4ccccc4cc32)c2c1cc1c(c2)cccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__