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61597-37-3 | 2-(4-Methoxycyclohexa-1,4-dien-1-yl)propan-2-ol
CAS No: 61597-37-3 Catalog No: AG003LP7 MDL No:MFCD02066210
Product Description
Catalog Number:
AG003LP7
Chemical Name:
2-(4-Methoxycyclohexa-1,4-dien-1-yl)propan-2-ol
CAS Number:
61597-37-3
Molecular Formula:
C10H16O2
Molecular Weight:
168.2328
MDL Number:
MFCD02066210
IUPAC Name:
2-(4-methoxycyclohexa-1,4-dien-1-yl)propan-2-ol
InChI:
InChI=1S/C10H16O2/c1-10(2,11)8-4-6-9(12-3)7-5-8/h4,7,11H,5-6H2,1-3H3
InChI Key:
XMKIECVHJJJPDQ-UHFFFAOYSA-N
SMILES:
COC1=CCC(=CC1)C(O)(C)C
EC Number:
262-864-7
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.115g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
168.236g/mol
Monoisotopic Mass:
168.115g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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