CS-0253754
Methyl 2-(4-hydroxybutyl)benzoate
Manufacturer: ChemScene
CAS Number: 872450-69-6
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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
C₁₂H₁₆O₃
Molecular Weight
208.25
Synonyms
Benzoic acid, 2-(4-hydroxybutyl)-, methyl ester
SMILES
O=C(OC)C1=CC=CC=C1CCCCO
Tpsa
46.53
Logp
1.7882
H Acceptors
3
H Donors
1
Rotatable Bonds
5
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: C₁₂H₁₆O₃
Molecular Weight: 208.25
Synonyms: Benzoic acid, 2-(4-hydroxybutyl)-, methyl ester
SMILES: O=C(OC)C1=CC=CC=C1CCCCO
Tpsa: 46.53
Logp: 1.7882
H Acceptors: 3
H Donors: 1
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:
C₁₂H₁₆O₃
Molecular Weight:
208.25
Synonyms:
Benzoic acid, 2-(4-hydroxybutyl)-, methyl ester
SMILES:
O=C(OC)C1=CC=CC=C1CCCCO
Tpsa:
46.53
Logp:
1.7882
H Acceptors:
3
H Donors:
1
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: C₁₄H₁₂N₄S
Molecular Weight: 268.34
Synonyms: None
SMILES: S=C1NN=C(C2=CC=CC=C2C3=CC=CC=C3)N1N
Tpsa: 59.63
Logp: 2.98849
H Acceptors: 4
H Donors: 2
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:
C₁₄H₁₂N₄S
Molecular Weight:
268.34
Synonyms:
None
SMILES:
S=C1NN=C(C2=CC=CC=C2C3=CC=CC=C3)N1N
Tpsa:
59.63
Logp:
2.98849
H Acceptors:
4
H Donors:
2
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: C₁₄H₁₀N₂OS
Molecular Weight: 254.31
Synonyms: None
SMILES: S=C1OC(C2=CC=C(C3=CC=CC=C3)C=C2)=NN1
Tpsa: 41.82
Logp: 4.06619
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:
C₁₄H₁₀N₂OS
Molecular Weight:
254.31
Synonyms:
None
SMILES:
S=C1OC(C2=CC=C(C3=CC=CC=C3)C=C2)=NN1
Tpsa:
41.82
Logp:
4.06619
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: C₁₃H₁₃BrF₄N₂O
Molecular Weight: 369.15
Synonyms: None
SMILES: C[C@]1(C2=C(C=CC(Br)=C2)F)N=C([C@@](C)(OC1)C(F)(F)F)N
Tpsa: 47.61
Logp: 3.5118
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:
C₁₃H₁₃BrF₄N₂O
Molecular Weight:
369.15
Synonyms:
None
SMILES:
C[C@]1(C2=C(C=CC(Br)=C2)F)N=C([C@@](C)(OC1)C(F)(F)F)N
Tpsa:
47.61
Logp:
3.5118
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
1