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3-METHOXY-4-(3-METHYL-BUTOXY)-BENZOICACID

3-METHOXY-4-(3-METHYL-BUTOXY)-BENZOICACID structure

CAS No:
303059-32-7
Formula:
C13H18O4
Chemical Name:
3-METHOXY-4-(3-METHYL-BUTOXY)-BENZOICACID
Synonyms:
4-isoamoxy-3-methoxy-benzoic acid;4-isopentyloxy-3-methoxybenzoic acid;4-isopentyloxy-3-methoxy-benzoic acid;Oprea1_657286;ST5451480;3-METHOXY-4-(3-METHYL-BUTOXY)-BENZOIC ACID;Benzoic acid, 3-methoxy-4-(3-methylbutoxy)-

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3-METHOXY-4-(3-METHYL-BUTOXY)-BENZOICACID Basic Attributes

Molecular Weight：

238.28

Exact Mass：

238.12050905 g/mol

HScode：

2918990090

Characteristics

PSA：

55.76000

XLogP3：

2.81830

Density：

1.101±0.06 g/cm3

Boiling Point：

352.1±22.0 °C(Predicted)

PKA：

4.36±0.10

Safety Information

Hazard category：

IRRITANT

GHS Classification：

|Warning|H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]|P264, P280, P305+P351+P338, and P337+P313|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:238.28
XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:238.12050905
Monoisotopic Mass:238.12050905
Topological Polar Surface Area:55.8
Heavy Atom Count:17
Complexity:240
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: calcium bromide; flunarizine; ipa structure; bioglutide; phosphate aluminum; 2-methyl-2-butene

Guide of 3-METHOXY-4-(3-METHYL-BUTOXY)-BENZOICACID

Basic Attributes
Characteristics
Safety Information
Computed Properties

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