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1-O-benzoyl-1,3-propanediol

1-O-benzoyl-1,3-propanediol structure

CAS No:
6946-99-2
Formula:
C10H12O3
Chemical Name:
1-O-benzoyl-1,3-propanediol
Synonyms:
benzoic acid 3-hydroxypropyl ester; 3-hydroxypropan-1-yl benzoate; 3-hydroxypropyl benzoate; 3-benzoyloxy-propan-1-ol; 3-benzoyloxy-1-propanol;

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1-O-benzoyl-1,3-propanediol Basic Attributes

Molecular Weight：

180.20000

Exact Mass：

180.078644241 g/mol

NSC Number：

57388

HScode：

2916310090

Characteristics

PSA：

46.53000

XLogP3：

1.22580

Density：

1.349g/cm3

Refractive Index：

1.717

Drug Information

MeSH Entry Terms：

1-O-benzoyl-1,3-propanediol

Computed Properties

Molecular Weight:180.20
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:180.078644241
Monoisotopic Mass:180.078644241
Topological Polar Surface Area:46.5
Heavy Atom Count:13
Complexity:150
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-O-benzoyl-1,3-propanediol

Basic Attributes
Characteristics
Drug Information
Computed Properties

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