CS-0904466
2-(4-Formyl-3-hydroxyphenyl)acetic acid
Manufacturer: ChemScene
CAS Number: 1616596-64-5
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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
C₉H₈O₄
Molecular Weight
180.16
Synonyms
None
SMILES
O=C(O)CC1=CC=C(C=O)C(O)=C1
Tpsa
74.6
Logp
0.8318
H Acceptors
3
H Donors
2
Rotatable Bonds
3
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SAFETY INFORMATION
Pictograms
Signal Word
Danger
UN Number
1759
Class
8
Packing Group
Ⅲ
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362-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: C₉H₈O₄
Molecular Weight: 180.16
Synonyms: None
SMILES: O=C(O)CC1=CC=C(C=O)C(O)=C1
Tpsa: 74.6
Logp: 0.8318
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₈O₄
Molecular Weight:
180.16
Synonyms:
None
SMILES:
O=C(O)CC1=CC=C(C=O)C(O)=C1
Tpsa:
74.6
Logp:
0.8318
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₂₂ClNO₃
Molecular Weight: 251.75
Synonyms: 4-Piperidineacetic acid, 4-hydroxy-, 1,1-dimethylethyl ester (hydrochloride)
SMILES: O=C(OC(C)(C)C)CC1(O)CCNCC1.Cl
Tpsa: 58.56
Logp: 1.2545
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:
C₁₁H₂₂ClNO₃
Molecular Weight:
251.75
Synonyms:
4-Piperidineacetic acid, 4-hydroxy-, 1,1-dimethylethyl ester (hydrochloride)
SMILES:
O=C(OC(C)(C)C)CC1(O)CCNCC1.Cl
Tpsa:
58.56
Logp:
1.2545
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: C₁₅H₁₈BF₃O₂
Molecular Weight: 298.11
Synonyms: None
SMILES: FC1=CC=C([C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)C2)C(F)=C1F
Tpsa: 18.46
Logp: 4.0536
H Acceptors: 2
H Donors: 0
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:
C₁₅H₁₈BF₃O₂
Molecular Weight:
298.11
Synonyms:
None
SMILES:
FC1=CC=C([C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)C2)C(F)=C1F
Tpsa:
18.46
Logp:
4.0536
H Acceptors:
2
H Donors:
0
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: C₈H₇BrF₂O
Molecular Weight: 237.04
Synonyms: None
SMILES: OCC1=CC=C(Br)C=C1C(F)F
Tpsa: 20.23
Logp: 2.879
H Acceptors: 1
H Donors: 1
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:
C₈H₇BrF₂O
Molecular Weight:
237.04
Synonyms:
None
SMILES:
OCC1=CC=C(Br)C=C1C(F)F
Tpsa:
20.23
Logp:
2.879
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
2