CS-1000121
4-(2-Methylpropoxy)-1,3-benzenedicarboxylic acid
Manufacturer: ChemScene
CAS Number: 100118-38-5
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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
C₁₂H₁₄O₅
Molecular Weight
238.24
Synonyms
None
SMILES
O=C(O)C1=CC=C(OCC(C)C)C(=C1)C(=O)O
Tpsa
83.83
Logp
2.1178
H Acceptors
3
H Donors
2
Rotatable Bonds
5
SAFETY INFORMATION
ghsPictogramUrl
https://dev-s3.chemscene.com/web-image/physicalization/irritant.svg
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: C₁₂H₁₄O₅
Molecular Weight: 238.24
Synonyms: None
SMILES: O=C(O)C1=CC=C(OCC(C)C)C(=C1)C(=O)O
Tpsa: 83.83
Logp: 2.1178
H Acceptors: 3
H Donors: 2
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:
C₁₂H₁₄O₅
Molecular Weight:
238.24
Synonyms:
None
SMILES:
O=C(O)C1=CC=C(OCC(C)C)C(=C1)C(=O)O
Tpsa:
83.83
Logp:
2.1178
H Acceptors:
3
H Donors:
2
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: C₁₃H₁₇NO₈
Molecular Weight: 315.28
Synonyms: None
SMILES: O=C(O)C1=CC(OCCOC)=C(OCCOC)C=C1N(=O)=O
Tpsa: 117.36
Logp: 1.3434
H Acceptors: 7
H Donors: 1
Rotatable Bonds: 10
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₇NO₈
Molecular Weight:
315.28
Synonyms:
None
SMILES:
O=C(O)C1=CC(OCCOC)=C(OCCOC)C=C1N(=O)=O
Tpsa:
117.36
Logp:
1.3434
H Acceptors:
7
H Donors:
1
Rotatable Bonds:
10
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₀H₁₈O
Molecular Weight: 274.36
Synonyms: None
SMILES: OC1=CC=C(C(=C1)C)C(C=2C=CC=CC2)C=3C=CC=CC3
Tpsa: 20.23
Logp: 4.88082
H Acceptors: 1
H Donors: 1
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:
C₂₀H₁₈O
Molecular Weight:
274.36
Synonyms:
None
SMILES:
OC1=CC=C(C(=C1)C)C(C=2C=CC=CC2)C=3C=CC=CC3
Tpsa:
20.23
Logp:
4.88082
H Acceptors:
1
H Donors:
1
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: C₈H₁₁NO₂
Molecular Weight: 153.18
Synonyms: None
SMILES: O=C1[C@]2([C@](C(=O)N1)(CCCC2)[H])[H]
Tpsa: 46.17
Logp: 0.4492
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:
C₈H₁₁NO₂
Molecular Weight:
153.18
Synonyms:
None
SMILES:
O=C1[C@]2([C@](C(=O)N1)(CCCC2)[H])[H]
Tpsa:
46.17
Logp:
0.4492
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
0