CS-0142867
Ethyl 3-methyl-4-oxo-2,4,5,6,7,8-hexahydrocyclohepta[c]pyrrole-1-carboxylate
Manufacturer: ChemScene
CAS Number: 2445335-95-3
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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
C₁₃H₁₇NO₃
Molecular Weight
235.28
Synonyms
Cyclohepta[c]pyrrole-1-carboxylic acid, 2,4,5,6,7,8-hexahydro-3-methyl-4-oxo-, ethyl ester
SMILES
O=C1C2=C(C)NC(C(OCC)=O)=C2CCCC1
Tpsa
59.16
Logp
2.40892
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-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: C₁₃H₁₇NO₃
Molecular Weight: 235.28
Synonyms: Cyclohepta[c]pyrrole-1-carboxylic acid, 2,4,5,6,7,8-hexahydro-3-methyl-4-oxo-, ethyl ester
SMILES: O=C1C2=C(C)NC(C(OCC)=O)=C2CCCC1
Tpsa: 59.16
Logp: 2.40892
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:
C₁₃H₁₇NO₃
Molecular Weight:
235.28
Synonyms:
Cyclohepta[c]pyrrole-1-carboxylic acid, 2,4,5,6,7,8-hexahydro-3-methyl-4-oxo-, ethyl ester
SMILES:
O=C1C2=C(C)NC(C(OCC)=O)=C2CCCC1
Tpsa:
59.16
Logp:
2.40892
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: C₁₂H₁₅NO₃
Molecular Weight: 221.25
Synonyms: 3-Methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindole-1-carboxylic acid ethyl ester
SMILES: O=C1C2=C(C)NC(C(OCC)=O)=C2CCC1
Tpsa: 59.16
Logp: 2.01882
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:
C₁₂H₁₅NO₃
Molecular Weight:
221.25
Synonyms:
3-Methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindole-1-carboxylic acid ethyl ester
SMILES:
O=C1C2=C(C)NC(C(OCC)=O)=C2CCC1
Tpsa:
59.16
Logp:
2.01882
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: C₁₁H₁₃NO₃
Molecular Weight: 207.23
Synonyms: None
SMILES: O=C(C1=C2C(C(CCCC2)=O)=C(C)N1)O
Tpsa: 70.16
Logp: 1.93042
H Acceptors: 2
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:
C₁₁H₁₃NO₃
Molecular Weight:
207.23
Synonyms:
None
SMILES:
O=C(C1=C2C(C(CCCC2)=O)=C(C)N1)O
Tpsa:
70.16
Logp:
1.93042
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
1
Purity: 98%
MDL No: MFCD21337271
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₁NO₃
Molecular Weight: 193.20
Synonyms: None
SMILES: O=C(C(N1)=CC2=C1CCCC2=O)OC
Tpsa: 59.16
Logp: 1.3203
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 1
Purity:
98%
MDL No:
MFCD21337271
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₁NO₃
Molecular Weight:
193.20
Synonyms:
None
SMILES:
O=C(C(N1)=CC2=C1CCCC2=O)OC
Tpsa:
59.16
Logp:
1.3203
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
1