CS-0498985
2-Cyano-3-oxobutanoic acid
Manufacturer: ChemScene
CAS Number: 88511-40-4
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Purity
98%
MDL No
None
Storage
4°C
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₅H₅NO₃
Molecular Weight
127.10
Synonyms
Acetoacetic acid, 2-cyano- (7CI)
SMILES
CC(C(C#N)C(O)=O)=O
Tpsa
78.16
Logp
-0.20022
H Acceptors
3
H Donors
1
Rotatable Bonds
2
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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-P330-P362+P364-P405-P501
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Purity: 98%
MDL No: None
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₅H₅NO₃
Molecular Weight: 127.10
Synonyms: Acetoacetic acid, 2-cyano- (7CI)
SMILES: CC(C(C#N)C(O)=O)=O
Tpsa: 78.16
Logp: -0.20022
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅H₅NO₃
Molecular Weight:
127.10
Synonyms:
Acetoacetic acid, 2-cyano- (7CI)
SMILES:
CC(C(C#N)C(O)=O)=O
Tpsa:
78.16
Logp:
-0.20022
H Acceptors:
3
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: C₁₁H₂₁NO₃
Molecular Weight: 215.29
Synonyms: tert-butyl [(1S)-2-cyclopropyl-1-(hydroxymethyl)ethyl]carbamate
SMILES: CC(C)(C)OC(N[C@H](CO)CC1CC1)=O
Tpsa: 58.56
Logp: 1.6721
H Acceptors: 3
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:
C₁₁H₂₁NO₃
Molecular Weight:
215.29
Synonyms:
tert-butyl [(1S)-2-cyclopropyl-1-(hydroxymethyl)ethyl]carbamate
SMILES:
CC(C)(C)OC(N[C@H](CO)CC1CC1)=O
Tpsa:
58.56
Logp:
1.6721
H Acceptors:
3
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: C₁₀H₁₈Br₂N₂OSSi
Molecular Weight: 402.22
Synonyms: None
SMILES: C[Si](CCOCN1C(Br)=C(Br)N=C1SC)(C)C
Tpsa: 27.05
Logp: 4.4423
H Acceptors: 4
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:
C₁₀H₁₈Br₂N₂OSSi
Molecular Weight:
402.22
Synonyms:
None
SMILES:
C[Si](CCOCN1C(Br)=C(Br)N=C1SC)(C)C
Tpsa:
27.05
Logp:
4.4423
H Acceptors:
4
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: C₈H₁₉BN₂O₃
Molecular Weight: 202.06
Synonyms: None
SMILES: CC(C)C[C@@H](B(O)O)NC([C@@H](N)C)=O
Tpsa: 95.58
Logp: -1.1235
H Acceptors: 4
H Donors: 4
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:
C₈H₁₉BN₂O₃
Molecular Weight:
202.06
Synonyms:
None
SMILES:
CC(C)C[C@@H](B(O)O)NC([C@@H](N)C)=O
Tpsa:
95.58
Logp:
-1.1235
H Acceptors:
4
H Donors:
4
Rotatable Bonds:
5