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16767-72-9 | Propane, 2-methyl-, hydrate (8CI,9CI)
CAS No: 16767-72-9 Catalog No: AG001XIZ MDL No:
Product Description
Catalog Number:
AG001XIZ
Chemical Name:
Propane, 2-methyl-, hydrate (8CI,9CI)
CAS Number:
16767-72-9
Molecular Formula:
C4H12O
Molecular Weight:
76.1375
IUPAC Name:
2-methylpropane;hydrate
InChI:
InChI=1S/C4H10.H2O/c1-4(2)3;/h4H,1-3H3;1H2
InChI Key:
JVBDSZLPVWLHPN-UHFFFAOYSA-N
SMILES:
CC(C)C.O
Properties
Complexity:
4.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
76.089g/mol
Formal Charge:
0
Heavy Atom Count:
5
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
76.139g/mol
Monoisotopic Mass:
76.089g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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