AG64655
6099-04-3 | 3-Methoxycinnamic acid
Manufacturer: A2B Chem
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CatalogNumber
AG64655
ChemicalName
3-Methoxycinnamic acid
CasNumber
6099-04-3
MolecularFormula
C10H10O3
MolecularWeight
178.1846
MdlNumber
MFCD00004386
Smiles
COc1cccc(c1)C=CC(=O)O
NscNumber
5234
Complexity
198
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2.1
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CatalogNumber: AG64655
ChemicalName: 3-Methoxycinnamic acid
CasNumber: 6099-04-3
MolecularFormula: C10H10O3
MolecularWeight: 178.1846
MdlNumber: MFCD00004386
Smiles: COc1cccc(c1)C=CC(=O)O
NscNumber: 5234
Complexity: 198
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.1
CatalogNumber:
AG64655
ChemicalName:
3-Methoxycinnamic acid
CasNumber:
6099-04-3
MolecularFormula:
C10H10O3
MolecularWeight:
178.1846
MdlNumber:
MFCD00004386
Smiles:
COc1cccc(c1)C=CC(=O)O
NscNumber:
5234
Complexity:
198
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCCC=CCCC(=O)NC1C(OC(C(C1O)O)CO)Oc1c2cc3cc1Oc1ccc(cc1Cl)C(O)C1C(=O)NC(C(=O)NC3C(=O)NC3C(=O)NC(C(c4ccc(O2)c(Cl)c4)OC2OC(CO)C(C(C2NC(=O)C)O)O)C(=O)NC(c2c(-c4cc3ccc4O)c(cc(c2)O)OC2OC(CO)C(C(C2O)O)O)C(=O)OC)c2cc(O)c(c(c2)Oc2cc(C(C(=O)N1)N)ccc2O)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCCC=CCCC(=O)NC1C(OC(C(C1O)O)CO)Oc1c2cc3cc1Oc1ccc(cc1Cl)C(O)C1C(=O)NC(C(=O)NC3C(=O)NC3C(=O)NC(C(c4ccc(O2)c(Cl)c4)OC2OC(CO)C(C(C2NC(=O)C)O)O)C(=O)NC(c2c(-c4cc3ccc4O)c(cc(c2)O)OC2OC(CO)C(C(C2O)O)O)C(=O)OC)c2cc(O)c(c(c2)Oc2cc(C(C(=O)N1)N)ccc2O)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NCc1ccccc1CC(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSc1nnnn1CC(=O)O
NscNumber: __
Complexity: 905
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: -3.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NCc1ccccc1CC(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSc1nnnn1CC(=O)O
NscNumber:
__
Complexity:
905
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
-3.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: __
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
__
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__