CS-0571665
Prop-2-yn-1-yl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate
Manufacturer: ChemScene
CAS Number: 873849-85-5
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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
C₈H₁₂O₄
Molecular Weight
172.18
Synonyms
Propanoic acid, 3-hydroxy-2-(hydroxymethyl)-2-methyl-, 2-propyn-1-yl ester
SMILES
O=C(OCC#C)C(C)(CO)CO
Tpsa
66.76
Logp
-0.8463
H Acceptors
4
H Donors
2
Rotatable Bonds
4
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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: C₈H₁₂O₄
Molecular Weight: 172.18
Synonyms: Propanoic acid, 3-hydroxy-2-(hydroxymethyl)-2-methyl-, 2-propyn-1-yl ester
SMILES: O=C(OCC#C)C(C)(CO)CO
Tpsa: 66.76
Logp: -0.8463
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:
C₈H₁₂O₄
Molecular Weight:
172.18
Synonyms:
Propanoic acid, 3-hydroxy-2-(hydroxymethyl)-2-methyl-, 2-propyn-1-yl ester
SMILES:
O=C(OCC#C)C(C)(CO)CO
Tpsa:
66.76
Logp:
-0.8463
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: C₈H₆ClNOS
Molecular Weight: 199.66
Synonyms: 8-chloro-2H-1,4-Benzothiazin-3(4H)-one
SMILES: C1C(=O)NC2=C(S1)C(=CC=C2)Cl
Tpsa: 29.1
Logp: 2.3842
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:
C₈H₆ClNOS
Molecular Weight:
199.66
Synonyms:
8-chloro-2H-1,4-Benzothiazin-3(4H)-one
SMILES:
C1C(=O)NC2=C(S1)C(=CC=C2)Cl
Tpsa:
29.1
Logp:
2.3842
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: C₁₂H₁₆O₄
Molecular Weight: 224.25
Synonyms: 2,4-dihydroxy-6-n-butylbenzoic acid, methyl ester
SMILES: O=C(OC)C1=C(CCCC)C=C(O)C=C1O
Tpsa: 66.76
Logp: 2.227
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:
C₁₂H₁₆O₄
Molecular Weight:
224.25
Synonyms:
2,4-dihydroxy-6-n-butylbenzoic acid, methyl ester
SMILES:
O=C(OC)C1=C(CCCC)C=C(O)C=C1O
Tpsa:
66.76
Logp:
2.227
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: C₁₄H₁₉N₅O₆
Molecular Weight: 353.33
Synonyms: None
SMILES: O[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1N2C=NC3=C2N=C(NC(C)=O)N=C3OCC
Tpsa: 151.85
Logp: -1.2051
H Acceptors: 10
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:
C₁₄H₁₉N₅O₆
Molecular Weight:
353.33
Synonyms:
None
SMILES:
O[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1N2C=NC3=C2N=C(NC(C)=O)N=C3OCC
Tpsa:
151.85
Logp:
-1.2051
H Acceptors:
10
H Donors:
4
Rotatable Bonds:
5