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Structure

2,4-Pentadecadiynoic acid

CAS
174063-99-1
Catalog Number
ACM174063991
Category
Other Products
Molecular Weight
234.33g/mol
Molecular Formula
C15H22O2

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Specification

IUPAC Name
pentadeca-2,4-diynoic acid
Canonical SMILES
CCCCCCCCCCC#CC#CC(=O)O
InChI
InChI=1S/C15H22O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-10H2,1H3,(H,16,17)
InChI Key
XRCJABKXJJKZPH-UHFFFAOYSA-N
Complexity
329
Covalently-Bonded Unit Count
1
Exact Mass
234.16198g/mol
Formal Charge
0
H-Bond Acceptor
2
H-Bond Donor
1
Heavy Atom Count
17
Monoisotopic Mass
234.16198g/mol
Rotatable Bond Count
9
XLogP3
5.9
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