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18819-66-4 | 2-Propenoic acid, 3-chloro-3-phenyl-, (2Z)-
CAS No: 18819-66-4 Catalog No: AG002GQU MDL No:
Product Description
Catalog Number:
AG002GQU
Chemical Name:
2-Propenoic acid, 3-chloro-3-phenyl-, (2Z)-
CAS Number:
18819-66-4
Molecular Formula:
C9H7ClO2
Molecular Weight:
182.6037
IUPAC Name:
(Z)-3-chloro-3-phenylprop-2-enoic acid
InChI:
InChI=1S/C9H7ClO2/c10-8(6-9(11)12)7-4-2-1-3-5-7/h1-6H,(H,11,12)/b8-6-
InChI Key:
SYLUOHMELSXJDK-VURMDHGXSA-N
SMILES:
Cl/C(=C\C(=O)O)/c1ccccc1
NSC Number:
106318
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
182.013g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.603g/mol
Monoisotopic Mass:
182.013g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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