CAS
669753-96-2 Purity
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669753-96-2 Purity
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10,12-Nonacosadiynoic acid
CAS
66990-34-9
Catalog Number
ACM66990349
Category
Other Products
Molecular Weight
430.7g/mol
Molecular Formula
C29H50O2
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Specification
IUPAC Name
nonacosa-10,12-diynoic acid
Canonical SMILES
CCCCCCCCCCCCCCCCC#CC#CCCCCCCCCC(=O)O
InChI
InChI=1S/C29H50O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29(30)31/h2-16,21-28H2,1H3,(H,30,31)
InChI Key
LQESNAREESPTNY-UHFFFAOYSA-N
Complexity
522
Covalently-Bonded Unit Count
1
Exact Mass
430.381081g/mol
Formal Charge
0
H-Bond Acceptor
2
H-Bond Donor
1
Heavy Atom Count
31
Monoisotopic Mass
430.381081g/mol
Rotatable Bond Count
23
XLogP3
11.5
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