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100948-92-3 | 1,4-Cycloheptanediol
CAS No: 100948-92-3 Catalog No: AG00039X MDL No:
Product Description
Catalog Number:
AG00039X
Chemical Name:
1,4-Cycloheptanediol
CAS Number:
100948-92-3
Molecular Formula:
C7H14O2
Molecular Weight:
130.1849
IUPAC Name:
cycloheptane-1,4-diol
InChI:
InChI=1S/C7H14O2/c8-6-2-1-3-7(9)5-4-6/h6-9H,1-5H2
InChI Key:
ZXJWWZPUERUHLC-UHFFFAOYSA-N
SMILES:
OC1CCCC(CC1)O
Properties
Complexity:
73
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:
2
Isotope Atom Count:
0
Molecular Weight:
130.187g/mol
Monoisotopic Mass:
130.099g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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