AB61584
612-40-8 | 2-carboxycinnamic acid
Manufacturer: A2B Chem
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CatalogNumber
AB61584
ChemicalName
2-carboxycinnamic acid
CasNumber
612-40-8
MolecularFormula
C10H8O4
MolecularWeight
192.1681
MdlNumber
MFCD00004380
Smiles
OC(=O)/C=C/c1ccccc1C(=O)O
NscNumber
16636
Complexity
257
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
2
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CatalogNumber: AB61584
ChemicalName: 2-carboxycinnamic acid
CasNumber: 612-40-8
MolecularFormula: C10H8O4
MolecularWeight: 192.1681
MdlNumber: MFCD00004380
Smiles: OC(=O)/C=C/c1ccccc1C(=O)O
NscNumber: 16636
Complexity: 257
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 2
CatalogNumber:
AB61584
ChemicalName:
2-carboxycinnamic acid
CasNumber:
612-40-8
MolecularFormula:
C10H8O4
MolecularWeight:
192.1681
MdlNumber:
MFCD00004380
Smiles:
OC(=O)/C=C/c1ccccc1C(=O)O
NscNumber:
16636
Complexity:
257
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1ccccc1OP(=O)(O)O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1ccccc1OP(=O)(O)O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB61586
ChemicalName: 2-Chloroisonicotinic acid
CasNumber: 6313-54-8
MolecularFormula: C6H4ClNO2
MolecularWeight: 157.55445999999998
MdlNumber: MFCD00191402
Smiles: Clc1nccc(c1)C(=O)O
NscNumber: 40139
Complexity: 140
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: __
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.1
CatalogNumber:
AB61586
ChemicalName:
2-Chloroisonicotinic acid
CasNumber:
6313-54-8
MolecularFormula:
C6H4ClNO2
MolecularWeight:
157.55445999999998
MdlNumber:
MFCD00191402
Smiles:
Clc1nccc(c1)C(=O)O
NscNumber:
40139
Complexity:
140
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
__
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.1
CatalogNumber: AB61587
ChemicalName: 2-Chloro-1-(2,3-dihydro-indol-1-yl)-ethanone
CasNumber: 17133-48-1
MolecularFormula: C10H10ClNO
MolecularWeight: 195.6455
MdlNumber: MFCD00099469
Smiles: ClCC(=O)N1CCc2c1cccc2
NscNumber: 151880
Complexity: 207
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: __
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 1.9
CatalogNumber:
AB61587
ChemicalName:
2-Chloro-1-(2,3-dihydro-indol-1-yl)-ethanone
CasNumber:
17133-48-1
MolecularFormula:
C10H10ClNO
MolecularWeight:
195.6455
MdlNumber:
MFCD00099469
Smiles:
ClCC(=O)N1CCc2c1cccc2
NscNumber:
151880
Complexity:
207
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
__
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
1.9