AC21755
851202-96-5 | 3,4-Dihydro-2H-1,4-benzoxazine-7-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AC21755
ChemicalName
3,4-Dihydro-2H-1,4-benzoxazine-7-carboxylic acid
CasNumber
851202-96-5
MolecularFormula
C9H9NO3
MolecularWeight
179.17265999999998
MdlNumber
MFCD11848178
Smiles
OC(=O)c1ccc2c(c1)OCCN2
Complexity
207
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
1.2
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CatalogNumber: AC21755
ChemicalName: 3,4-Dihydro-2H-1,4-benzoxazine-7-carboxylic acid
CasNumber: 851202-96-5
MolecularFormula: C9H9NO3
MolecularWeight: 179.17265999999998
MdlNumber: MFCD11848178
Smiles: OC(=O)c1ccc2c(c1)OCCN2
Complexity: 207
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 1.2
CatalogNumber:
AC21755
ChemicalName:
3,4-Dihydro-2H-1,4-benzoxazine-7-carboxylic acid
CasNumber:
851202-96-5
MolecularFormula:
C9H9NO3
MolecularWeight:
179.17265999999998
MdlNumber:
MFCD11848178
Smiles:
OC(=O)c1ccc2c(c1)OCCN2
Complexity:
207
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
1.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: OB(c1ncccn1)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
OB(c1ncccn1)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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Smiles: SCCN=C
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Smiles:
SCCN=C
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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Smiles: CCCc1c2nc(cc(c2cc2c1oc(cc2=O)C(=O)O)NC)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCc1c2nc(cc(c2cc2c1oc(cc2=O)C(=O)O)NC)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__