CS-0498978
(Z)-2-Cyano-3-hydroxybut-2-enoic acid
Manufacturer: ChemScene
CAS Number: 331627-93-1
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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
C₅H₅NO₃
Molecular Weight
127.10
Synonyms
2-Butenoic acid, 2-cyano-3-hydroxy- (9CI)
SMILES
C/C(O)=C(C#N)/C(O)=O
Tpsa
81.32
Logp
0.42658
H Acceptors
3
H Donors
2
Rotatable Bonds
1
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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-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: C₅H₅NO₃
Molecular Weight: 127.10
Synonyms: 2-Butenoic acid, 2-cyano-3-hydroxy- (9CI)
SMILES: C/C(O)=C(C#N)/C(O)=O
Tpsa: 81.32
Logp: 0.42658
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅H₅NO₃
Molecular Weight:
127.10
Synonyms:
2-Butenoic acid, 2-cyano-3-hydroxy- (9CI)
SMILES:
C/C(O)=C(C#N)/C(O)=O
Tpsa:
81.32
Logp:
0.42658
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
1
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 N-(1-cyclopropyl-3-hydroxypropan-2-yl)carbamate
SMILES: O=C(OC(C)(C)C)NC(CO)CC1CC1
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 N-(1-cyclopropyl-3-hydroxypropan-2-yl)carbamate
SMILES:
O=C(OC(C)(C)C)NC(CO)CC1CC1
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: C₈H₄BrIN₂O
Molecular Weight: 350.94
Synonyms: None
SMILES: O=C1C(I)=NNC2=C1C=CC(Br)=C2
Tpsa: 45.75
Logp: 2.2902
H Acceptors: 2
H Donors: 1
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:
C₈H₄BrIN₂O
Molecular Weight:
350.94
Synonyms:
None
SMILES:
O=C1C(I)=NNC2=C1C=CC(Br)=C2
Tpsa:
45.75
Logp:
2.2902
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
0
Purity: 98%
MDL No: MFCD28126879
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₅H₁₄BNO₂
Molecular Weight: 130.98
Synonyms: [(1S)-1-Amino-3-methylbutyl]boronic acid
SMILES: CC(C)C[C@H](B(O)O)N
Tpsa: 66.48
Logp: -0.6282
H Acceptors: 3
H Donors: 3
Rotatable Bonds: 3
Purity:
98%
MDL No:
MFCD28126879
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅H₁₄BNO₂
Molecular Weight:
130.98
Synonyms:
[(1S)-1-Amino-3-methylbutyl]boronic acid
SMILES:
CC(C)C[C@H](B(O)O)N
Tpsa:
66.48
Logp:
-0.6282
H Acceptors:
3
H Donors:
3
Rotatable Bonds:
3