AB21716
230613-81-7 | 12-(4-Nitrophenoxy)dodecanoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB21716
ChemicalName
12-(4-Nitrophenoxy)dodecanoic acid
CasNumber
230613-81-7
MolecularFormula
C18H27NO5
MolecularWeight
337.4107
MdlNumber
MFCD28015652
Smiles
OC(=O)CCCCCCCCCCCOc1ccc(cc1)[N+](=O)[O-]
Complexity
348
Covalently-bondedUnitCount
1
HeavyAtomCount
24
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
13
Xlogp3
6.1
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CatalogNumber: AB21716
ChemicalName: 12-(4-Nitrophenoxy)dodecanoic acid
CasNumber: 230613-81-7
MolecularFormula: C18H27NO5
MolecularWeight: 337.4107
MdlNumber: MFCD28015652
Smiles: OC(=O)CCCCCCCCCCCOc1ccc(cc1)[N+](=O)[O-]
Complexity: 348
Covalently-bondedUnitCount: 1
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 13
Xlogp3: 6.1
CatalogNumber:
AB21716
ChemicalName:
12-(4-Nitrophenoxy)dodecanoic acid
CasNumber:
230613-81-7
MolecularFormula:
C18H27NO5
MolecularWeight:
337.4107
MdlNumber:
MFCD28015652
Smiles:
OC(=O)CCCCCCCCCCCOc1ccc(cc1)[N+](=O)[O-]
Complexity:
348
Covalently-bondedUnitCount:
1
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
13
Xlogp3:
6.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O[C@@H]1CC[C@H]([C@@H](C1)C)NC(=O)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O[C@@H]1CC[C@H]([C@@H](C1)C)NC(=O)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB21718
ChemicalName: (3S,8S,9S,10R,13R,14S)-10,13-Dimethyl-2,3,6,7,8,9,10,11,12,13,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
CasNumber: 23062-06-8
MolecularFormula: C19H28O
MolecularWeight: 272.425
MdlNumber: MFCD00271236
Smiles: O[C@H]1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC=C2)C)C
Complexity: 476
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 4.6
CatalogNumber:
AB21718
ChemicalName:
(3S,8S,9S,10R,13R,14S)-10,13-Dimethyl-2,3,6,7,8,9,10,11,12,13,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
CasNumber:
23062-06-8
MolecularFormula:
C19H28O
MolecularWeight:
272.425
MdlNumber:
MFCD00271236
Smiles:
O[C@H]1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC=C2)C)C
Complexity:
476
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
4.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)CC(C(=O)OCC)S
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)CC(C(=O)OCC)S
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__