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10099-73-7 | 2-Butenedioic acid (2Z)-, 1-(2-hydroxypropyl) ester
CAS No: 10099-73-7 Catalog No: AG0003E9 MDL No:
Product Description
Catalog Number:
AG0003E9
Chemical Name:
2-Butenedioic acid (2Z)-, 1-(2-hydroxypropyl) ester
CAS Number:
10099-73-7
Molecular Formula:
C7H10O5
Molecular Weight:
174.1513
IUPAC Name:
4-(2-hydroxypropoxy)-4-oxobut-2-enoic acid
InChI:
InChI=1S/C7H10O5/c1-5(8)4-12-7(11)3-2-6(9)10/h2-3,5,8H,4H2,1H3,(H,9,10)
InChI Key:
ZKXXLNRGNAUYHP-UHFFFAOYSA-N
SMILES:
CC(COC(=O)/C=C\C(=O)O)O
EC Number:
233-244-3
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.053g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
174.152g/mol
Monoisotopic Mass:
174.053g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
-0.4
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