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14368-53-7 | 9-Octadecenoic acid, 12-chloro-, methyl ester, (9Z)-
CAS No: 14368-53-7 Catalog No: AG001I62 MDL No:
Product Description
Catalog Number:
AG001I62
Chemical Name:
9-Octadecenoic acid, 12-chloro-, methyl ester, (9Z)-
CAS Number:
14368-53-7
Molecular Formula:
C19H35ClO2
Molecular Weight:
330.9330
IUPAC Name:
methyl 12-chlorooctadec-9-enoate
InChI:
InChI=1S/C19H35ClO2/c1-3-4-5-12-15-18(20)16-13-10-8-6-7-9-11-14-17-19(21)22-2/h10,13,18H,3-9,11-12,14-17H2,1-2H3
InChI Key:
QAQDUYKUUDWWNG-UHFFFAOYSA-N
SMILES:
CCCCCCC(C/C=C\CCCCCCCC(=O)OC)Cl
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.233g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.937g/mol
Monoisotopic Mass:
330.233g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
7.3
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