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25201-40-5 | 1,6-Heptadien-4-ol, 4-methyl-
CAS No: 25201-40-5 Catalog No: AG002QWQ MDL No:MFCD00026110
Product Description
Catalog Number:
AG002QWQ
Chemical Name:
1,6-Heptadien-4-ol, 4-methyl-
CAS Number:
25201-40-5
Molecular Formula:
C8H14O
Molecular Weight:
126.1962
MDL Number:
MFCD00026110
IUPAC Name:
4-methylhepta-1,6-dien-4-ol
InChI:
InChI=1S/C8H14O/c1-4-6-8(3,9)7-5-2/h4-5,9H,1-2,6-7H2,3H3
InChI Key:
WAXJJHZQRWWQIR-UHFFFAOYSA-N
SMILES:
C=CCC(CC=C)(O)C
EC Number:
246-731-0
UNII:
TLM3OZ6DGP
NSC Number:
71540
Properties
Complexity:
95.1
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:
4
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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