AI52204
5439-88-3 | 2,4-Dihydroxy-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AI52204
ChemicalName
2,4-Dihydroxy-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
CasNumber
5439-88-3
MolecularFormula
C9H10N2O4
MolecularWeight
210.1867
MdlNumber
MFCD23378423
Smiles
Oc1nc(O)c2c(n1)CCC(C2)C(=O)O
NscNumber
15392
Complexity
386
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
3
RotatableBondCount
1
UndefinedAtomStereocenterCount
1
Xlogp3
-0.8
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CatalogNumber: AI52204
ChemicalName: 2,4-Dihydroxy-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
CasNumber: 5439-88-3
MolecularFormula: C9H10N2O4
MolecularWeight: 210.1867
MdlNumber: MFCD23378423
Smiles: Oc1nc(O)c2c(n1)CCC(C2)C(=O)O
NscNumber: 15392
Complexity: 386
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 3
RotatableBondCount: 1
UndefinedAtomStereocenterCount: 1
Xlogp3: -0.8
CatalogNumber:
AI52204
ChemicalName:
2,4-Dihydroxy-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
CasNumber:
5439-88-3
MolecularFormula:
C9H10N2O4
MolecularWeight:
210.1867
MdlNumber:
MFCD23378423
Smiles:
Oc1nc(O)c2c(n1)CCC(C2)C(=O)O
NscNumber:
15392
Complexity:
386
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
3
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
1
Xlogp3:
-0.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N1C[C@H]2[C@@H](C1)CCCC2=O)OC(C)(C)C
NscNumber: __
Complexity: 332
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 1.3
CatalogNumber:
__
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MolecularFormula:
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MolecularWeight:
__
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Smiles:
O=C(N1C[C@H]2[C@@H](C1)CCCC2=O)OC(C)(C)C
NscNumber:
__
Complexity:
332
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-][C@@H]1[C@@H](COP(=O)(OP(=O)(O)O)O)O[C@H]([C@@H]1[O-])n1ccc(nc1=O)N.[Na+].[Na+]
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-][C@@H]1[C@@H](COP(=O)(OP(=O)(O)O)O)O[C@H]([C@@H]1[O-])n1ccc(nc1=O)N.[Na+].[Na+]
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)c1cc2cc(C)ccc2oc1=O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)c1cc2cc(C)ccc2oc1=O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__