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919-98-2

919-98-2 | 1,5-Heptadien-4-ol, 4-methyl-

CAS No: 919-98-2 Catalog No: AG006GC7 MDL No:

Product Description

Catalog Number:
AG006GC7
Chemical Name:
1,5-Heptadien-4-ol, 4-methyl-
CAS Number:
919-98-2
Molecular Formula:
C8H14O
Molecular Weight:
126.1962
IUPAC Name:
4-methylhepta-1,5-dien-4-ol
InChI:
InChI=1S/C8H14O/c1-4-6-8(3,9)7-5-2/h4-5,7,9H,1,6H2,2-3H3
InChI Key:
LDWHKAGXBQNZCJ-UHFFFAOYSA-N
SMILES:
C=CCC(C=CC)(O)C

Properties

Complexity:
116  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.104g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
126.199g/mol
Monoisotopic Mass:
126.104g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
1  
XLogP3:
1.7  

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