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Benzoic acid, 4-[3-(acetyloxy)-2-methylpropyl]-, methyl ester, (R)- (9CI)

Benzoic acid, 4-[3-(acetyloxy)-2-methylpropyl]-, methyl ester, (R)- (9CI) structure

CAS No:
173065-76-4
Formula:
C14H18O4
Chemical Name:
Benzoic acid, 4-[3-(acetyloxy)-2-methylpropyl]-, methyl ester, (R)- (9CI)
Synonyms:
Methyl 4-[(2R)-3-acetoxy-2-methylpropyl]benzoate;ZINC39117813;4-[(R)-2-Methyl-3-acetoxypropyl]benzoic acid methyl ester

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Benzoic acid, 4-[3-(acetyloxy)-2-methylpropyl]-, methyl ester, (R)- (9CI) Basic Attributes

Molecular Weight：

250.29032

Exact Mass：

250.121

Characteristics

PSA：

52.6

XLogP3：

2.7

Density：

1.088±0.06 g/cm3(Predicted)

Boiling Point：

349.4±35.0 °C(Predicted)

Computed Properties

Molecular Weight:250.29
XLogP3:2.7
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:250.12050905
Monoisotopic Mass:250.12050905
Topological Polar Surface Area:52.6
Heavy Atom Count:18
Complexity:280
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Benzoic acid, 4-[3-(acetyloxy)-2-methylpropyl]-, methyl ester, (R)- (9CI)

Basic Attributes
Characteristics
Computed Properties
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