AB44326
139-85-5 | 3,4-Dihydroxybenzaldehyde
Manufacturer: A2B Chem
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CatalogNumber
AB44326
ChemicalName
3,4-Dihydroxybenzaldehyde
CasNumber
139-85-5
MolecularFormula
C7H6O3
MolecularWeight
138.1207
MdlNumber
MFCD00003370
Smiles
O=Cc1ccc(c(c1)O)O
NscNumber
22961
Complexity
124
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
1.3
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CatalogNumber: AB44326
ChemicalName: 3,4-Dihydroxybenzaldehyde
CasNumber: 139-85-5
MolecularFormula: C7H6O3
MolecularWeight: 138.1207
MdlNumber: MFCD00003370
Smiles: O=Cc1ccc(c(c1)O)O
NscNumber: 22961
Complexity: 124
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 1.3
CatalogNumber:
AB44326
ChemicalName:
3,4-Dihydroxybenzaldehyde
CasNumber:
139-85-5
MolecularFormula:
C7H6O3
MolecularWeight:
138.1207
MdlNumber:
MFCD00003370
Smiles:
O=Cc1ccc(c(c1)O)O
NscNumber:
22961
Complexity:
124
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
1.3
CatalogNumber: AB44327
ChemicalName: (E)-3,4-dihydroxycinnamic acid
CasNumber: 331-39-5
MolecularFormula: C9H8O4
MolecularWeight: 180.1574
MdlNumber: MFCD00004392
Smiles: OC(=O)C=Cc1ccc(c(c1)O)O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AB44327
ChemicalName:
(E)-3,4-dihydroxycinnamic acid
CasNumber:
331-39-5
MolecularFormula:
C9H8O4
MolecularWeight:
180.1574
MdlNumber:
MFCD00004392
Smiles:
OC(=O)C=Cc1ccc(c(c1)O)O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc(N)ccc1OC
NscNumber: __
Complexity: 119
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc(N)ccc1OC
NscNumber:
__
Complexity:
119
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.4
CatalogNumber: AB44329
ChemicalName: 3,4-Dimethoxybenzoic acid
CasNumber: 93-07-2
MolecularFormula: C9H10O4
MolecularWeight: 182.1733
MdlNumber: MFCD00002500
Smiles: COc1cc(ccc1OC)C(=O)O
NscNumber: 7721
Complexity: 181
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.6
CatalogNumber:
AB44329
ChemicalName:
3,4-Dimethoxybenzoic acid
CasNumber:
93-07-2
MolecularFormula:
C9H10O4
MolecularWeight:
182.1733
MdlNumber:
MFCD00002500
Smiles:
COc1cc(ccc1OC)C(=O)O
NscNumber:
7721
Complexity:
181
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.6