CS-1003655
α-Methyl-4-[(2-oxocyclohexylidene)methyl]benzeneacetic acid
Manufacturer: ChemScene
CAS Number: 344338-25-6
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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
C₁₆H₁₈O₃
Molecular Weight
258.31
Synonyms
None
SMILES
O=C(O)C(C1=CC=C(C=C1)C=C2C(=O)CCCC2)C
Tpsa
54.37
Logp
3.4012
H Acceptors
2
H Donors
1
Rotatable Bonds
3
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SAFETY INFORMATION
ghsPictogramUrl
https://dev-s3.chemscene.com/web-image/physicalization/irritant.svg
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: C₁₆H₁₈O₃
Molecular Weight: 258.31
Synonyms: None
SMILES: O=C(O)C(C1=CC=C(C=C1)C=C2C(=O)CCCC2)C
Tpsa: 54.37
Logp: 3.4012
H Acceptors: 2
H Donors: 1
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:
C₁₆H₁₈O₃
Molecular Weight:
258.31
Synonyms:
None
SMILES:
O=C(O)C(C1=CC=C(C=C1)C=C2C(=O)CCCC2)C
Tpsa:
54.37
Logp:
3.4012
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
3
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₅H₈O₅
Molecular Weight: 148.11
Synonyms: None
SMILES: [C@@H]([C@H](CO)O)(C(C=O)=O)O
Tpsa: 94.83
Logp: -2.5315
H Acceptors: 5
H Donors: 3
Rotatable Bonds: 4
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅H₈O₅
Molecular Weight:
148.11
Synonyms:
None
SMILES:
[C@@H]([C@H](CO)O)(C(C=O)=O)O
Tpsa:
94.83
Logp:
-2.5315
H Acceptors:
5
H Donors:
3
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₅ClO
Molecular Weight: 198.69
Synonyms: None
SMILES: ClC(C)CCC1=CC=C(OC)C=C1
Tpsa: 9.23
Logp: 3.2551
H Acceptors: 1
H Donors: 0
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₁₅ClO
Molecular Weight:
198.69
Synonyms:
None
SMILES:
ClC(C)CCC1=CC=C(OC)C=C1
Tpsa:
9.23
Logp:
3.2551
H Acceptors:
1
H Donors:
0
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₁₃NO₅
Molecular Weight: 215.20
Synonyms: None
SMILES: O=N(=O)C=1OC(=CC1)C(OCC)OCC
Tpsa: 74.74
Logp: 2.2594
H Acceptors: 5
H Donors: 0
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₁₃NO₅
Molecular Weight:
215.20
Synonyms:
None
SMILES:
O=N(=O)C=1OC(=CC1)C(OCC)OCC
Tpsa:
74.74
Logp:
2.2594
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
6