CS-0436785
2-(3-(Ethoxycarbonyl)-4-methyl-1H-pyrrol-2-yl)acetic acid
Manufacturer: ChemScene
CAS Number: 945381-57-7
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Purity
98%
MDL No
MFCD24481509
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₀H₁₃NO₄
Molecular Weight
211.21
Synonyms
2-carboxymethyl-4-methyl-1H-pyrrole-3-carboxylic acid ethyl ester
SMILES
O=C(O)CC1=C(C(OCC)=O)C(C)=CN1
Tpsa
79.39
Logp
1.12692
H Acceptors
3
H Donors
2
Rotatable Bonds
4
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: MFCD24481509
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₃NO₄
Molecular Weight: 211.21
Synonyms: 2-carboxymethyl-4-methyl-1H-pyrrole-3-carboxylic acid ethyl ester
SMILES: O=C(O)CC1=C(C(OCC)=O)C(C)=CN1
Tpsa: 79.39
Logp: 1.12692
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 4
Purity:
98%
MDL No:
MFCD24481509
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₃NO₄
Molecular Weight:
211.21
Synonyms:
2-carboxymethyl-4-methyl-1H-pyrrole-3-carboxylic acid ethyl ester
SMILES:
O=C(O)CC1=C(C(OCC)=O)C(C)=CN1
Tpsa:
79.39
Logp:
1.12692
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: C₈H₁₁BO₆S
Molecular Weight: 246.05
Synonyms: [2-Methoxy-5-(methoxysulfonyl)phenyl]boronic acid
SMILES: O=S(C1=CC=C(OC)C(B(O)O)=C1)(OC)=O
Tpsa: 93.06
Logp: -1.2899
H Acceptors: 6
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:
C₈H₁₁BO₆S
Molecular Weight:
246.05
Synonyms:
[2-Methoxy-5-(methoxysulfonyl)phenyl]boronic acid
SMILES:
O=S(C1=CC=C(OC)C(B(O)O)=C1)(OC)=O
Tpsa:
93.06
Logp:
-1.2899
H Acceptors:
6
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: C₉H₉IO₃
Molecular Weight: 292.07
Synonyms: None
SMILES: O=C(OCC)C1=CC=C(I)C(O)=C1
Tpsa: 46.53
Logp: 2.1735
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:
C₉H₉IO₃
Molecular Weight:
292.07
Synonyms:
None
SMILES:
O=C(OCC)C1=CC=C(I)C(O)=C1
Tpsa:
46.53
Logp:
2.1735
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: C₈H₅FO₂
Molecular Weight: 152.12
Synonyms: None
SMILES: O=C(F)C1=CC=C(C=O)C=C1
Tpsa: 34.14
Logp: 1.6088
H Acceptors: 2
H Donors: 0
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:
C₈H₅FO₂
Molecular Weight:
152.12
Synonyms:
None
SMILES:
O=C(F)C1=CC=C(C=O)C=C1
Tpsa:
34.14
Logp:
1.6088
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
2