4-(quinolin-2-ylmethoxy)benzoic Acid

HCID 9838552
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Basic information

CAS
123724-16-3
Standard SMILES
O=C(O)c1ccc(OCc2ccc3ccccc3n2)cc1
InChIKey
NNJZADJXPQFKOE-UHFFFAOYSA-N
Molecular formula
C17H13NO3
Average molar mass
279.29 g/mol
Monoisotopic mass
279.08954328

Names & identifiers

Preferred name
4-(quinolin-2-ylmethoxy)benzoic Acid
IUPAC
4-(quinolin-2-ylmethoxy)benzoic acid
English name
p-(2-Quinolinylmethoxy)benzoic acid
Molecular formula
C17H13NO3
Molecular weight
279.29

Names & synonyms

4-(quinolin-2-ylmethoxy)benzoic Acid123724-16-34-(2-Quinolinylmethoxy)benzoic acidp-(2-Quinolinylmethoxy)benzoic acidBenzoic acid, 4-(2-quinolinylmethoxy)-4-(quinolin-2-ylmethyloxy)benzoic acid4-[(quinolin-2-yl)methoxy]benzoic acidCHEMBL5202995F2158-05894-(Quinolin-2-ylmethoxy)benzoicacidSCHEMBL421067DTXSID10431644
Show more names
EOS-61168
NNJZADJXPQFKOE-UHFFFAOYSA-N4-(2-quinolylmethoxy)benzoic acidSMSSF-0017731CS-M3634YEA72416BDBM50596191MFCD11986933p-[(2-quinolyl)methoxy]benzoic acid

Database identifiers

CAS
123724-16-3
PubChem CID
9838552
DTXSID
DTXSID10431644
ChEMBL
CHEMBL5202995

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
59.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
21

Physicochemical properties

Density
1.305 · 1.305
storage temp.
2 · Storage temp. 2-8°C
Appearance
White to off-white Solid
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Suppliers17 total

北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
扬州思域化工有限公司0514-87325867 · [email protected]
上海创焰化学科技有限公司021-11111111 11111111111 · [email protected]
成都同创源医药科技有限公司028-83379370 13880556291 · [email protected]
德州博腾精细化工有限公司[email protected]

Related reactions

20 records
New reaction record

Compound notes

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