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13167-36-7 | 2-Propenoic acid, 2,3-dichloro-
CAS No: 13167-36-7 Catalog No: AG000ZKG MDL No:
Product Description
Catalog Number:
AG000ZKG
Chemical Name:
2-Propenoic acid, 2,3-dichloro-
CAS Number:
13167-36-7
Molecular Formula:
C3H2Cl2O2
Molecular Weight:
140.9528
IUPAC Name:
(Z)-2,3-dichloroprop-2-enoic acid
InChI:
InChI=1S/C3H2Cl2O2/c4-1-2(5)3(6)7/h1H,(H,6,7)/b2-1-
InChI Key:
YQYHCJZVJNOGBP-UPHRSURJSA-N
SMILES:
OC(=O)C(=CCl)Cl
NSC Number:
32684
Properties
Complexity:
108
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
139.943g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
140.947g/mol
Monoisotopic Mass:
139.943g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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