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16134-07-9 | 1,4-Butanediol, 2,3-bis(1-methylethyl)-
CAS No: 16134-07-9 Catalog No: AG001SE5 MDL No:
Product Description
Catalog Number:
AG001SE5
Chemical Name:
1,4-Butanediol, 2,3-bis(1-methylethyl)-
CAS Number:
16134-07-9
Molecular Formula:
C10H22O2
Molecular Weight:
174.2805
IUPAC Name:
2,3-di(propan-2-yl)butane-1,4-diol
InChI:
InChI=1S/C10H22O2/c1-7(2)9(5-11)10(6-12)8(3)4/h7-12H,5-6H2,1-4H3
InChI Key:
MGYUMVAIEXFVET-UHFFFAOYSA-N
SMILES:
OCC(C(C(C)C)CO)C(C)C
Properties
Complexity:
96.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.162g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
174.284g/mol
Monoisotopic Mass:
174.162g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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