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821782-61-0 | 4,5-Hexadien-2-ol, 4-methyl-, (2S)-
CAS No: 821782-61-0 Catalog No: AG0051AL MDL No:
Product Description
Catalog Number:
AG0051AL
Chemical Name:
4,5-Hexadien-2-ol, 4-methyl-, (2S)-
CAS Number:
821782-61-0
Molecular Formula:
C7H12O
Molecular Weight:
112.1696
IUPAC Name:
(2S)-4-methylhexa-4,5-dien-2-ol
InChI:
InChI=1S/C7H12O/c1-4-6(2)5-7(3)8/h7-8H,1,5H2,2-3H3/t7-/m0/s1
InChI Key:
HANHXRULGBXQPN-ZETCQYMHSA-N
SMILES:
CC(=C=C)C[C@@H](O)C
Properties
Complexity:
110
Compound Is Canonicalized:
No
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
112.089g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
112.172g/mol
Monoisotopic Mass:
112.089g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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