AB44545
7169-34-8 | 3-Coumaranone
Manufacturer: A2B Chem
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CatalogNumber
AB44545
ChemicalName
3-Coumaranone
CasNumber
7169-34-8
MolecularFormula
C8H6O2
MolecularWeight
134.132
MdlNumber
MFCD00051810
Smiles
O=C1COc2c1cccc2
NscNumber
512726
Complexity
153
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
1.5
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CatalogNumber: AB44545
ChemicalName: 3-Coumaranone
CasNumber: 7169-34-8
MolecularFormula: C8H6O2
MolecularWeight: 134.132
MdlNumber: MFCD00051810
Smiles: O=C1COc2c1cccc2
NscNumber: 512726
Complexity: 153
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.5
CatalogNumber:
AB44545
ChemicalName:
3-Coumaranone
CasNumber:
7169-34-8
MolecularFormula:
C8H6O2
MolecularWeight:
134.132
MdlNumber:
MFCD00051810
Smiles:
O=C1COc2c1cccc2
NscNumber:
512726
Complexity:
153
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.5
CatalogNumber: AB44546
ChemicalName: 2H-1,2,4-Triazole-3-carbonitrile
CasNumber: 3641-10-9
MolecularFormula: C3H2N4
MolecularWeight: 94.07477999999999
MdlNumber: MFCD03428509
Smiles: c1nc([nH]n1)C#N
NscNumber: __
Complexity: 101
Covalently-bondedUnitCount: 1
HeavyAtomCount: 7
HydrogenBondAcceptorCount: 3
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
AB44546
ChemicalName:
2H-1,2,4-Triazole-3-carbonitrile
CasNumber:
3641-10-9
MolecularFormula:
C3H2N4
MolecularWeight:
94.07477999999999
MdlNumber:
MFCD03428509
Smiles:
c1nc([nH]n1)C#N
NscNumber:
__
Complexity:
101
Covalently-bondedUnitCount:
1
HeavyAtomCount:
7
HydrogenBondAcceptorCount:
3
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AB44547
ChemicalName: 3-Cyano-5-methylpyridine
CasNumber: 42885-14-3
MolecularFormula: C7H6N2
MolecularWeight: 118.1359
MdlNumber: MFCD00673151
Smiles: Cc1cc(cnc1)C#N
NscNumber: __
Complexity: 133
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
UndefinedAtomStereocenterCount: __
Xlogp3: 0.9
CatalogNumber:
AB44547
ChemicalName:
3-Cyano-5-methylpyridine
CasNumber:
42885-14-3
MolecularFormula:
C7H6N2
MolecularWeight:
118.1359
MdlNumber:
MFCD00673151
Smiles:
Cc1cc(cnc1)C#N
NscNumber:
__
Complexity:
133
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
UndefinedAtomStereocenterCount:
__
Xlogp3:
0.9
CatalogNumber: AB44548
ChemicalName: 3-Cyclohexene-1-carboxylic acid methyl ester
CasNumber: 6493-77-2
MolecularFormula: C8H12O2
MolecularWeight: 140.1797
MdlNumber: MFCD30729884
Smiles: COC(=O)C1CCC=CC1
NscNumber: 93912
Complexity: 149
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.6
CatalogNumber:
AB44548
ChemicalName:
3-Cyclohexene-1-carboxylic acid methyl ester
CasNumber:
6493-77-2
MolecularFormula:
C8H12O2
MolecularWeight:
140.1797
MdlNumber:
MFCD30729884
Smiles:
COC(=O)C1CCC=CC1
NscNumber:
93912
Complexity:
149
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.6