CS-1000353
4-[(1E)-2-Nitroethenyl]-1,2-benzenediol
Manufacturer: ChemScene
CAS Number: 108074-44-8
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Purity
98%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₈H₇NO₄
Molecular Weight
181.15
Synonyms
None
SMILES
C(=C/N(=O)=O)\C1=CC(O)=C(O)C=C1
Tpsa
83.6
Logp
1.3452
H Acceptors
4
H Donors
2
Rotatable Bonds
2
SAFETY INFORMATION
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₇NO₄
Molecular Weight: 181.15
Synonyms: None
SMILES: C(=C/N(=O)=O)\C1=CC(O)=C(O)C=C1
Tpsa: 83.6
Logp: 1.3452
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₇NO₄
Molecular Weight:
181.15
Synonyms:
None
SMILES:
C(=C/N(=O)=O)\C1=CC(O)=C(O)C=C1
Tpsa:
83.6
Logp:
1.3452
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄₉H₆₆N₁₀O₁₀S₂
Molecular Weight: 1019.24
Synonyms: None
SMILES: C(C=1C=2C(NC1)=CC=CC2)[C@H]3NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](NC([C@@H](CC5=CC=CC=C5)N)=O)CSSC[C@@H](C(N[C@@H]([C@@H](C)O)CO)=O)NC(=O)[C@]([C@@H](C)O)(NC(=O)[C@H](CCCCN)NC3=O)[H]
Tpsa: 332.22
Logp: -0.8054
H Acceptors: 14
H Donors: 13
Rotatable Bonds: 17
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₉H₆₆N₁₀O₁₀S₂
Molecular Weight:
1019.24
Synonyms:
None
SMILES:
C(C=1C=2C(NC1)=CC=CC2)[C@H]3NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](NC([C@@H](CC5=CC=CC=C5)N)=O)CSSC[C@@H](C(N[C@@H]([C@@H](C)O)CO)=O)NC(=O)[C@]([C@@H](C)O)(NC(=O)[C@H](CCCCN)NC3=O)[H]
Tpsa:
332.22
Logp:
-0.8054
H Acceptors:
14
H Donors:
13
Rotatable Bonds:
17
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₂₀O₄
Molecular Weight: 216.27
Synonyms: None
SMILES: O=C(O)CC(CC(=O)OCC)CC(C)C
Tpsa: 63.6
Logp: 2.0766
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₂₀O₄
Molecular Weight:
216.27
Synonyms:
None
SMILES:
O=C(O)CC(CC(=O)OCC)CC(C)C
Tpsa:
63.6
Logp:
2.0766
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
7
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₈O₅
Molecular Weight: 254.28
Synonyms: None
SMILES: O=C(OC)CCC1=CC=C(OCC(O)CO)C=C1
Tpsa: 75.99
Logp: 0.5242
H Acceptors: 5
H Donors: 2
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₈O₅
Molecular Weight:
254.28
Synonyms:
None
SMILES:
O=C(OC)CCC1=CC=C(OCC(O)CO)C=C1
Tpsa:
75.99
Logp:
0.5242
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
7