CS-0571630
2-((1H-pyrrol-1-yl)methylene)malonic acid
Manufacturer: ChemScene
CAS Number: 81400-09-1
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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
C₈H₇NO₄
Molecular Weight
181.15
Synonyms
(1-Pyrrolylmethylen)malonsaeure
SMILES
O=C(O)C(C(O)=O)=CN1C=CC=C1
Tpsa
79.53
Logp
0.4982
H Acceptors
3
H Donors
2
Rotatable Bonds
3
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: C₈H₇NO₄
Molecular Weight: 181.15
Synonyms: (1-Pyrrolylmethylen)malonsaeure
SMILES: O=C(O)C(C(O)=O)=CN1C=CC=C1
Tpsa: 79.53
Logp: 0.4982
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₇NO₄
Molecular Weight:
181.15
Synonyms:
(1-Pyrrolylmethylen)malonsaeure
SMILES:
O=C(O)C(C(O)=O)=CN1C=CC=C1
Tpsa:
79.53
Logp:
0.4982
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₅H₈O₂
Molecular Weight: 100.12
Synonyms: None
SMILES: C1CC2C(O2)OC1
Tpsa: 21.76
Logp: 0.5217
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:
C₅H₈O₂
Molecular Weight:
100.12
Synonyms:
None
SMILES:
C1CC2C(O2)OC1
Tpsa:
21.76
Logp:
0.5217
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: C₁₀H₇NO₃
Molecular Weight: 189.17
Synonyms: None
SMILES: O=C(C1=CN2C=CC=CC2=CC1=O)O
Tpsa: 58.78
Logp: 0.9977
H Acceptors: 3
H Donors: 1
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:
C₁₀H₇NO₃
Molecular Weight:
189.17
Synonyms:
None
SMILES:
O=C(C1=CN2C=CC=CC2=CC1=O)O
Tpsa:
58.78
Logp:
0.9977
H Acceptors:
3
H Donors:
1
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: C₁₈H₁₆N₂O₂
Molecular Weight: 292.33
Synonyms: 4-imidazolyl-flavan
SMILES: OC1=CC2=C(C=C1)C(N3C=CN=C3)CC(C4=CC=CC=C4)O2
Tpsa: 47.28
Logp: 3.7019
H Acceptors: 4
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:
C₁₈H₁₆N₂O₂
Molecular Weight:
292.33
Synonyms:
4-imidazolyl-flavan
SMILES:
OC1=CC2=C(C=C1)C(N3C=CN=C3)CC(C4=CC=CC=C4)O2
Tpsa:
47.28
Logp:
3.7019
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
2