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826-13-1 | 2-Cyclohepten-1-ol,1-acetate
CAS No: 826-13-1 Catalog No: AG004XMS MDL No:
Product Description
Catalog Number:
AG004XMS
Chemical Name:
2-Cyclohepten-1-ol,1-acetate
CAS Number:
826-13-1
Molecular Formula:
C9H13O2-
Molecular Weight:
153.1983
IUPAC Name:
2-(cyclohepten-1-yl)acetate
InChI:
InChI=1S/C9H14O2/c10-9(11)7-8-5-3-1-2-4-6-8/h5H,1-4,6-7H2,(H,10,11)/p-1
InChI Key:
CTDNKAVGZOIRMI-UHFFFAOYSA-M
SMILES:
[O-]C(=O)CC1=CCCCCC1
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.092g/mol
Formal Charge:
-1
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
153.201g/mol
Monoisotopic Mass:
153.092g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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