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13215-89-9 | 3-Buten-2-ol, 4-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-
CAS No: 13215-89-9 Catalog No: AG0010BA MDL No:
Product Description
Catalog Number:
AG0010BA
Chemical Name:
3-Buten-2-ol, 4-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-
CAS Number:
13215-89-9
Molecular Formula:
C13H20O
Molecular Weight:
192.2973
IUPAC Name:
4-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)but-3-en-2-ol
InChI:
InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h5-8,11,14H,9H2,1-4H3
InChI Key:
SJICFWRZYCWFOK-UHFFFAOYSA-N
SMILES:
CC(C=CC1=C(C)C=CCC1(C)C)O
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.151g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
192.302g/mol
Monoisotopic Mass:
192.151g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
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