10,12-PENTACOSADIYNOIC ACID

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Catalog Number
ACM66990327
Product Name
10,12-PENTACOSADIYNOIC ACID
Structure
Structure
CAS
66990-32-7
Category
Heterocyclic Organic Compound
IUPAC Name
pentacosa-10,12-diynoic acid
Molecular Weight
374.6g/mol
Molecular Formula
C25H42O2
Canonical SMILES
CCCCCCCCCCCCC#CC#CCCCCCCCCC(=O)O
InChI
InChI=1S/C25H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(26)27/h2-12,17-24H2,1H3,(H,26,27)
InChI Key
ZPUDRBWHCWYMQS-UHFFFAOYSA-N
Complexity
466
Covalently-Bonded Unit Count
1
EC Number
614-006-1
Exact Mass
374.318481g/mol
Formal Charge
0
H-Bond Acceptor
2
H-Bond Donor
1
Heavy Atom Count
27
Monoisotopic Mass
374.318481g/mol
Rotatable Bond Count
19
XLogP3
9.4
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