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heptane-2,3-diol

heptane-2,3-diol structure

CAS No:
21508-07-6
Formula:
C7H16O2
Chemical Name:
heptane-2,3-diol
Synonyms:
heptane-2,3-diol;2,3-Heptanediol;21508-07-6;NSC51951;propylene glycol butyl ester;SCHEMBL24855;DTXSID80287650;NSC-51951;DS-011160

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heptane-2,3-diol Basic Attributes

Molecular Weight：

132.20 g/mol

Exact Mass：

132.115029749 g/mol

NSC Number：

51951

DSSTox ID：

DTXSID80287650

Characteristics

PSA：

40.5 Å²

Computed Properties

Molecular Weight:132.20
XLogP3:1.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:132.115029749
Monoisotopic Mass:132.115029749
Topological Polar Surface Area:40.5
Heavy Atom Count:9
Complexity:63.9
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of heptane-2,3-diol

Basic Attributes
Characteristics
Computed Properties

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