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10202-74-1 | 1,6-Heptadien-4-ol, 4-(1,1-dimethylethyl)-
CAS No: 10202-74-1 Catalog No: AG0006CD MDL No:
Product Description
Catalog Number:
AG0006CD
Chemical Name:
1,6-Heptadien-4-ol, 4-(1,1-dimethylethyl)-
CAS Number:
10202-74-1
Molecular Formula:
C11H20O
Molecular Weight:
168.2759
IUPAC Name:
4-tert-butylhepta-1,6-dien-4-ol
InChI:
InChI=1S/C11H20O/c1-6-8-11(12,9-7-2)10(3,4)5/h6-7,12H,1-2,8-9H2,3-5H3
InChI Key:
OFHQRFLUMSVPOP-UHFFFAOYSA-N
SMILES:
C=CCC(C(C)(C)C)(CC=C)O
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.151g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
168.28g/mol
Monoisotopic Mass:
168.151g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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