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80638-10-4 | 4-Cycloocten-1-ol, formate
CAS No: 80638-10-4 Catalog No: AG005KEB MDL No:
Product Description
Catalog Number:
AG005KEB
Chemical Name:
4-Cycloocten-1-ol, formate
CAS Number:
80638-10-4
Molecular Formula:
C9H16O3
Molecular Weight:
172.2215
IUPAC Name:
[(4Z)-cyclooct-4-en-1-yl] formate
InChI:
InChI=1S/C9H14O2/c10-8-11-9-6-4-2-1-3-5-7-9/h1-2,8-9H,3-7H2/b2-1-
InChI Key:
MOODCRUVWQJONR-UPHRSURJSA-N
SMILES:
OC1CCCC=CCC1.OC=O
EC Number:
279-523-3
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
154.099g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.209g/mol
Monoisotopic Mass:
154.099g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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