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53957-33-8 | 2,5-DIMETHYLBENZYL ALCOHOL
CAS No: 53957-33-8 Catalog No: AG00330K MDL No:MFCD00004625
Product Description
Catalog Number:
AG00330K
Chemical Name:
2,5-DIMETHYLBENZYL ALCOHOL
CAS Number:
53957-33-8
Molecular Formula:
C9H12O
Molecular Weight:
136.1910
MDL Number:
MFCD00004625
IUPAC Name:
(2,5-dimethylphenyl)methanol
InChI:
InChI=1S/C9H12O/c1-7-3-4-8(2)9(5-7)6-10/h3-5,10H,6H2,1-2H3
InChI Key:
LEBQTCCCNMTXSF-UHFFFAOYSA-N
SMILES:
OCc1cc(C)ccc1C
EC Number:
258-888-2
Properties
Complexity:
101
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.089g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
136.194g/mol
Monoisotopic Mass:
136.089g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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