CS-0093578
4-(1-Hydroxybut-3-yn-1-yl)benzoic acid
Manufacturer: ChemScene
CAS Number: 121598-70-7
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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
C₁₁H₁₀O₃
Molecular Weight
190.20
Synonyms
None
SMILES
O=C(O)C1=CC=C(C(O)CC#C)C=C1
Tpsa
57.53
Logp
1.4415
H Acceptors
2
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: C₁₁H₁₀O₃
Molecular Weight: 190.20
Synonyms: None
SMILES: O=C(O)C1=CC=C(C(O)CC#C)C=C1
Tpsa: 57.53
Logp: 1.4415
H Acceptors: 2
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:
C₁₁H₁₀O₃
Molecular Weight:
190.20
Synonyms:
None
SMILES:
O=C(O)C1=CC=C(C(O)CC#C)C=C1
Tpsa:
57.53
Logp:
1.4415
H Acceptors:
2
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: C₁₄H₉NO
Molecular Weight: 207.23
Synonyms: 2H-Dibenz[b,f]azepin-2-one
SMILES: O=C(C=C1)C=C2C1=NC3=CC=CC=C3C=C2
Tpsa: 29.96
Logp: 2.6998
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:
C₁₄H₉NO
Molecular Weight:
207.23
Synonyms:
2H-Dibenz[b,f]azepin-2-one
SMILES:
O=C(C=C1)C=C2C1=NC3=CC=CC=C3C=C2
Tpsa:
29.96
Logp:
2.6998
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: C₁₀H₁₀F₃NO₃
Molecular Weight: 249.19
Synonyms: None
SMILES: FC(C1=NC=C(OC)C(C(COC)=O)=C1)(F)F
Tpsa: 48.42
Logp: 1.9381
H Acceptors: 4
H Donors: 0
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:
C₁₀H₁₀F₃NO₃
Molecular Weight:
249.19
Synonyms:
None
SMILES:
FC(C1=NC=C(OC)C(C(COC)=O)=C1)(F)F
Tpsa:
48.42
Logp:
1.9381
H Acceptors:
4
H Donors:
0
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: C₁₅H₂₁NO₃
Molecular Weight: 263.33
Synonyms: None
SMILES: O=C(N1CC2=C(C=C(O)C=C2C)CC1)OC(C)(C)C
Tpsa: 49.77
Logp: 2.99382
H Acceptors: 3
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:
C₁₅H₂₁NO₃
Molecular Weight:
263.33
Synonyms:
None
SMILES:
O=C(N1CC2=C(C=C(O)C=C2C)CC1)OC(C)(C)C
Tpsa:
49.77
Logp:
2.99382
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
0