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848133-35-7 | trans-4-Dimethylaminocrotonic acid hydrochloride
CAS No: 848133-35-7 Catalog No: AG0035VJ MDL No:MFCD03695466
Product Description
Catalog Number:
AG0035VJ
Chemical Name:
trans-4-Dimethylaminocrotonic acid hydrochloride
CAS Number:
848133-35-7
Molecular Formula:
C6H12ClNO2
Molecular Weight:
165.6180
MDL Number:
MFCD03695466
IUPAC Name:
(E)-4-(dimethylamino)but-2-enoic acid;hydrochloride
InChI:
InChI=1S/C6H11NO2.ClH/c1-7(2)5-3-4-6(8)9;/h3-4H,5H2,1-2H3,(H,8,9);1H/b4-3+;
InChI Key:
UUHNQHFOIVLAQX-BJILWQEISA-N
SMILES:
CN(C/C=C/C(=O)O)C.Cl
Properties
Complexity:
118
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
165.056g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
165.617g/mol
Monoisotopic Mass:
165.056g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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