CS-0653669
2,3-Dihydro-1-(1-oxopropyl)-1H-indole-2-carboxylic acid
Manufacturer: ChemScene
CAS Number: 1099621-93-8
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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
C₁₂H₁₃NO₃
Molecular Weight
219.24
Synonyms
None
SMILES
O=C(C1N(C(CC)=O)C2=C(C=CC=C2)C1)O
Tpsa
57.61
Logp
1.4389
H Acceptors
2
H Donors
1
Rotatable Bonds
2
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: C₁₂H₁₃NO₃
Molecular Weight: 219.24
Synonyms: None
SMILES: O=C(C1N(C(CC)=O)C2=C(C=CC=C2)C1)O
Tpsa: 57.61
Logp: 1.4389
H Acceptors: 2
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:
C₁₂H₁₃NO₃
Molecular Weight:
219.24
Synonyms:
None
SMILES:
O=C(C1N(C(CC)=O)C2=C(C=CC=C2)C1)O
Tpsa:
57.61
Logp:
1.4389
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
2
Purity: 98%
MDL No: MFCD00274561
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₅H₁₉N₃O₃
Molecular Weight: 289.33
Synonyms: None
SMILES: O=C(C1=CC(CC)=CN=C1C2=NC(C(C)C)(C)C(N2)=O)O
Tpsa: 91.65
Logp: 1.6333
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 4
Purity:
98%
MDL No:
MFCD00274561
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₁₉N₃O₃
Molecular Weight:
289.33
Synonyms:
None
SMILES:
O=C(C1=CC(CC)=CN=C1C2=NC(C(C)C)(C)C(N2)=O)O
Tpsa:
91.65
Logp:
1.6333
H Acceptors:
4
H Donors:
2
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: C₁₇H₁₄ClNO₂
Molecular Weight: 299.75
Synonyms: None
SMILES: O=C(N1C)[C@@]2([H])[C@@](C1)([H])C3=C(OC4=C2C=CC=C4)C=CC(Cl)=C3
Tpsa: 29.54
Logp: 3.7851
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₇H₁₄ClNO₂
Molecular Weight:
299.75
Synonyms:
None
SMILES:
O=C(N1C)[C@@]2([H])[C@@](C1)([H])C3=C(OC4=C2C=CC=C4)C=CC(Cl)=C3
Tpsa:
29.54
Logp:
3.7851
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
0
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₈H₃₂O₂
Molecular Weight: 280.45
Synonyms: None
SMILES: O=C1[C@]2([H])CC[C@H]([C@H](C)CCCC(C)(O)C)[C@@]2(C)CCC1
Tpsa: 37.3
Logp: 4.3492
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₈H₃₂O₂
Molecular Weight:
280.45
Synonyms:
None
SMILES:
O=C1[C@]2([H])CC[C@H]([C@H](C)CCCC(C)(O)C)[C@@]2(C)CCC1
Tpsa:
37.3
Logp:
4.3492
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
5