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102273-63-2 | 3-Heptanone, 5-hydroxy-, (5R)-
CAS No: 102273-63-2 Catalog No: AG00072T MDL No:
Product Description
Catalog Number:
AG00072T
Chemical Name:
3-Heptanone, 5-hydroxy-, (5R)-
CAS Number:
102273-63-2
Molecular Formula:
C7H14O2
Molecular Weight:
130.1849
IUPAC Name:
5-hydroxyheptan-3-one
InChI:
InChI=1S/C7H14O2/c1-3-6(8)5-7(9)4-2/h6,8H,3-5H2,1-2H3
InChI Key:
NMINIWNPJHHYFW-UHFFFAOYSA-N
SMILES:
CC[C@H](CC(=O)CC)O
Properties
Complexity:
88.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
130.099g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
130.187g/mol
Monoisotopic Mass:
130.099g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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